SCHEMBL3360295

SCHEMBL3360295

CC(C)(C)NCc1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ IDO1 P14902 2/20 0.48
▸ AGXT P21549 2/20 0.48
▸ MAOB P27338 2/20 0.46
▸ TP53BP1 Q12888 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ CARM1 Q86X55 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ MTOR P42345 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14433569 0.86 PRMT6 (0.42) CYP1A2ALOX15MAPK1PRMT6
SCHEMBL3360942 0.82 CYP1A2 (0.45) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL23682794 0.82 CYP1A2 (0.64) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL1420821 0.79 HTT (0.50) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL27112902 0.78 TP53 (0.39) CYP1A2PRMT6
SCHEMBL12201615 0.78 IDO1 (0.50) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL29455232 0.78 TAAR1 (0.66) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL662360 0.78 TAAR1 (0.66) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL1420648 0.77 CYP1A2 (0.62) TAAR1CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL10294061 0.77 CHRM2 (0.53) TAAR1CYP1A2CYP2D6CYP2C19IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US claimed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP claimed
CN-117986241-A Biphenyl derivative, pharmaceutical composition and application thereof 武汉睿健医药科技有限公司 2024-05-07 — — CN disclosed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 — — EP disclosed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 — — EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 — — US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 — — US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 — — US disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 — — US disclosed
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF WAYNE STATE UNIVERSITY 2014-08-21 — — US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 — — US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE MSR1, TPMT, M6PR TAAR1 376/4885CYP1A2 804/4885CYP2D6 418/4885
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 TAAR1 273/4885CYP1A2 2554/4885CYP2D6 3777/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 TAAR1 217/4885CYP1A2 2230/4885CYP2D6 3417/4885
US-20140235702-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND THE USES OF THEREOF MCL1, BCL2L1, BCL2L11 TAAR1 4637/4885CYP1A2 4004/4885CYP2D6 3701/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 TAAR1 217/4885CYP1A2 2230/4885CYP2D6 3417/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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