SCHEMBL6310487

SCHEMBL6310487

O=C(NC1CC2CC1CN2)c1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP7 P09237 1/20 0.43
MMP13 P45452 1/20 0.43
EZH2 Q15910 2/20 0.43
NAAA Q02083 1/20 0.43
SERPINE1 P05121 1/20 0.42
NPC1 O15118 2/20 0.41
FFAR1 O14842 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PKM P14618 1/20 0.40
SNCA P37840 1/20 0.39
F2 P00734 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB3 P13945 2/20 0.39

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
SCHEMBL6304573 0.90 MMP2 (0.47) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6311929 0.87 MMP2 (0.55) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6311303 0.87 MMP2 (0.43) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6309407 0.87 PGR (0.49) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6305684 0.87 HTR2C (0.45) GRM5MMP2MMP9MMP7MMP13
SCHEMBL6310596 0.86 CHRNB2 (0.41) MMP2MMP9MMP7MMP13NAAA
SCHEMBL6305992 0.86 PARP10 (0.54) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6303164 0.86 NPC1 (0.46) MMP2MMP9MMP7MMP13EZH2
SCHEMBL6310508 0.84 TAS1R3 (0.40) GRM5MMP2MMP9MMP7MMP13
SCHEMBL6303539 0.84 MMP13 (0.43) MMP2MMP9MMP7MMP13EZH2

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-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
EP-1480977-A2 SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-12-01 EP disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003070728-A2 AZABICYCLO-SUBSTITUTED BENZOYLAMIDES AND THIOAMIDES FOR TREATMENT OF CNS-RELATED DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 GRM5 1429/4885MMP2 3426/4885MMP9 2900/4885

“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.