SCHEMBL2077828

SCHEMBL2077828

CC(O)C#Cc1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2B P18089 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL12784776 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EACACBADRA2AADRA2B
SCHEMBL4772955 0.79 GBA1 (0.32) ALDH1A1KDM4EGBA1GRM5ATM
SCHEMBL29773880 0.78 DGAT1 (0.36) ACACB
SCHEMBL15991273 0.75 ADRA2A (0.38) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL2401098 0.75 KMT2A (0.39) ALDH1A1KDM4EACACBMEN1KMT2A
SCHEMBL29087580 0.74 GBA1 (0.33) ALDH1A1KDM4EGBA1GRM5
SCHEMBL30522289 0.74 GBA1 (0.33) ALDH1A1KDM4EGBA1GRM5
SCHEMBL3212577 0.72 ADRA2A (0.36) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL4520127 0.71 TTBK1 (0.38) ALDH1A1KDM4EADRA2AADRA2BADRA2C
SCHEMBL4764499 0.71 GABRA1 (0.44) ALDH1A1KDM4EACACBMAPTHPGD

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
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 — — US disclosed
EP-1973877-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2008-10-01 — — EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 — — US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 — — WO disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885KDM4E 1050/4885ACACB 4365/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 ALDH1A1 1999/4885KDM4E 1822/4885ACACB 1317/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KDM4E 1058/4885ACACB 4615/4885

“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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