SCHEMBL3563888

SCHEMBL3563888

COc1cccc2c(C(=O)C(F)(F)F)c[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ HPGD P15428 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ PIM3 Q86V86 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MTNR1A P48039 1/20 0.48
▸ MTNR1B P49286 1/20 0.48
▸ NR4A2 P43354 2/20 0.47
▸ BRPF1 P55201 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL5446777 0.83 ALDH1A1 (0.68) ALDH1A1HPGDKDM4EMTNR1AMTNR1B
SCHEMBL3566514 0.83 ALDH1A1 (0.83) ALDH1A1HPGDKDM4EMTNR1AMTNR1B
SCHEMBL4229520 0.81 BRPF1 (0.67) ALDH1A1HPGDKDM4EPIM3MAPK1
SCHEMBL9936554 0.81 NR4A2 (0.70) ALDH1A1HPGDKDM4EPIM3MTNR1A
SCHEMBL14410811 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EPIM3MTNR1A
SCHEMBL2037236 0.79 PIM3 (0.59) PIM3MAPK1BRPF1RAB9A
SCHEMBL6029339 0.78 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EMTNR1AMTNR1B
SCHEMBL27436908 0.78 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMTNR1AMTNR1B
SCHEMBL28289155 0.78 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EMTNR1AMTNR1B
SCHEMBL7838694 0.78 PIM3 (0.58) ALDH1A1KDM4EPIM3MAPK1NR4A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708992-B1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2007-08-08 — — EP claimed
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 — — US disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 — — EP disclosed
US-7304064-B2 1-[(indol-3-yl)carbonyl]piperazine derivatives N.V. ORGANON (NL) 2007-12-04 — — US disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 — — US disclosed
EP-1549637-B1 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES ORGANON NV (NL) 2007-05-02 — — EP disclosed
EP-1725232-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2006-11-29 — — EP disclosed
US-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2005-11-10 — — US disclosed
WO-2005089754-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR AKZO NOBEL N.V. (NL) 2005-09-29 — — WO disclosed
EP-1549637-A1 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES Akzo Nobel N.V. (NL) 2005-07-06 — — EP disclosed
WO-2004000832-A1 1-[(INDOL-3-YL)CARBONYL] PIPERAZINE DERIVATIVES AKZO NOBEL N.V. (NL) 2003-12-31 — — WO 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 (2 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-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives IDO1, OPRL1, OPRK1 ALDH1A1 689/4885HPGD 1291/4885KDM4E 1502/4885
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 ALDH1A1 1616/4885HPGD 682/4885KDM4E 2175/4885

“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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