SCHEMBL7075008

SCHEMBL7075008

Cc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL7077992 1.00 MMP13 (0.46) MMP13ALDH1A1KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL7075860 0.99 MMP13 (0.45) MMP13ALDH1A1KDM4EMAPTKMT2A
SCHEMBL7225131 0.92 ALDH1A1 (0.45) MMP13ALDH1A1KDM4EMAPTKMT2A
SCHEMBL7232663 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7233288 0.90 NPC1 (0.46) MMP13ALDH1A1KDM4EMAPTKMT2A
SCHEMBL7223162 0.89 ALDH1A1 (0.60) MMP13ALDH1A1KDM4EMAPTKMT2A
SCHEMBL7232288 0.89 ALDH1A1 (0.44) MMP13ALDH1A1KDM4EMAPTKMT2A
SCHEMBL7233285 0.89 MMP13 (0.48) MMP13ALDH1A1KDM4EMAPTKMT2A
SCHEMBL7225223 0.89 NPC1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7232499 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE PHARMACIA & UPJOHN COMPANY 2003-04-10 US 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-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE SULT1E1, UGT1A7, UGT1A1 MMP13 989/4885ALDH1A1 1238/4885KDM4E 112/4885

“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.