SCHEMBL7414456

SCHEMBL7414456

CC1(C)CNc2ccc(Cl)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.43
▸ HTR2A P28223 4/20 0.40
▸ HTR2C P28335 4/20 0.40
▸ HTR5A P47898 4/20 0.40
▸ HTR2B P41595 3/20 0.40
▸ HTR3A P46098 3/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADRA2B P18089 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ HTR1D P28221 2/20 0.40
▸ HTR7 P34969 2/20 0.40
▸ CMA1 P23946 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL31243557 0.86 AHR (0.43) AHRHTR2AHTR2CHTR5AHTR2B
SCHEMBL1396641 0.80 BRD4 (0.44) AHRADRA2AADRA2BADRA2CCMA1
SCHEMBL7414360 0.80 HTR5A (0.41) HTR5AADRA2AADRA2BADRA2CMEN1
Hydrochloric Acid SCHEMBL7420730 0.77 MAP2K2 (0.38) ADRA2AADRA2BADRA2CMEN1GAA
SCHEMBL20870462 0.76 HPGD (0.40) MEN1GAAMAPTKMT2AHPGD
SCHEMBL17027185 0.76 HPGD (0.48) MEN1GAAMAPTCDK2KMT2A
SCHEMBL5765633 0.76 BRD4 (0.30) —
SCHEMBL17026918 0.75 TDP2 (0.39) HTR2AHTR2CHTR2BMEN1GAA
SCHEMBL6218970 0.73 HTR1A (0.31) HTR2AHTR2CDRD4HTR7
SCHEMBL6327840 0.73 BRD4 (0.50) AHRHTR5AMEN1MAPK13GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 — — US disclosed
EP-3107910-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2016-12-28 — — EP disclosed
WO-2015124868-A1 NEW PHENYLAZETIDINE, CARBOXYLATE OR CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2015-08-27 — — WO disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 — — EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 — — 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 (1 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-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 AHR 90/4885HTR2A 189/4885HTR2C 485/4885

“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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