SCHEMBL6772949

SCHEMBL6772949

COc1cccc(C2=CCN(C(=O)O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MMP2 P08253 2/20 0.53
ADAM10 O14672 1/20 0.53
MMP9 P14780 1/20 0.53
QDPR P09417 2/20 0.51
NAMPT P43490 1/20 0.51
MMP3 P08254 1/20 0.50
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LIMK1 P53667 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
SCHEMBL7398716 0.88 MMP2 (0.52) TDP1MMP2ADAM10MMP9QDPR
SCHEMBL21767855 0.86 NCOA1 (0.46) TDP1MMP2ADAM10MMP9NAMPT
SCHEMBL14562979 0.85 QDPR (0.53) TDP1QDPRNAMPTPPARGPPARA
SCHEMBL6848748 0.84 PDK4 (0.55) TDP1MMP2ADAM10MMP9QDPR
SCHEMBL29914770 0.84 PDK4 (0.55) TDP1MMP2ADAM10MMP9QDPR
SCHEMBL4948115 0.84 MMP2 (0.52) TDP1MMP2QDPRMMP3MEN1
SCHEMBL16113804 0.83 ALDH1A1 (0.52) MMP2ADAM10MMP9QDPRNAMPT
SCHEMBL4874387 0.82 ALDH1A1 (0.42) TDP1MMP2ADAM10MMP9QDPR
SCHEMBL22324805 0.82 TDP1 (0.50) TDP1QDPRNAMPTMEN1KMT2A
SCHEMBL5959136 0.82 ALDH1A1 (0.57) QDPRMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094300-B Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-09-16 CN disclosed
CN-111094300-A Benzo-heteroaryl derivative, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2020-05-01 CN disclosed
US-10301299-B2 Glycosidase inhibitors MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US disclosed
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof H. LUNDBECK A/S (DK) 2003-04-10 US disclosed
EP-0886636-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT-1D.BETA. RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1998-12-30 EP disclosed
WO-1997028140-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT1Db RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 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 (4 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-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R TDP1 201/4885MMP2 2551/4885ADAM10 4060/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R TDP1 529/4885MMP2 2902/4885ADAM10 3885/4885
US-10301299-B2 Glycosidase inhibitors GAA, BACE1, GBA3 TDP1 295/4885MMP2 83/4885ADAM10 219/4885
US-20030069261-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R TDP1 2718/4885MMP2 4285/4885ADAM10 3614/4885

“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.