Sugi Predict

Sugi Predict / Compounds / SCHEMBL6488035

SCHEMBL6488035

SCHEMBL6488035

COc1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CCN(C4)C3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CHRNA7 P36544 4/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 2/20 0.47

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
SCHEMBL6488042 1.00 MMP13 (0.49) MMP13ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6487322 0.89 CHRNA7 (0.50) MMP13ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6487314 0.89 CHRNA7 (0.50) MMP13ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6497936 0.89 NPC1 (0.49) ALDH1A1KMT2AMEN1CHRNA7NPC1
SCHEMBL6497941 0.89 NPC1 (0.49) ALDH1A1KMT2AMEN1CHRNA7NPC1
SCHEMBL6490515 0.88 CHRNA7 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6490510 0.88 CHRNA7 (0.51) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6487071 0.87 CHRNA7 (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6487083 0.87 CHRNA7 (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6500084 0.87 CHRNA7 (0.50) ALDH1A1MAPTKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 — — US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 — — US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 — — US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 — — EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 — — US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 — — 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 MMP13 4148/4885ALDH1A1 625/4885MAPT 4385/4885

“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.