SCHEMBL6101243

SCHEMBL6101243

COc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.51
SMYD3 Q9H7B4 1/20 0.49
KDM4E B2RXH2 2/20 0.46
KDM2B Q8NHM5 1/20 0.45
DRD4 P21917 2/20 0.44
PLAU P00749 1/20 0.44
HTR4 Q13639 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.42

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
Hydrochloric Acid SCHEMBL7124867 0.99 HPGDS (0.50) HPGDSSMYD3KDM4EKDM2BDRD4
SCHEMBL6100330 0.86 SSTR3 (0.47) DRD4
SCHEMBL7119235 0.85 CYP2A6 (0.43) DRD4NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7126791 0.85 SSTR3 (0.46) DRD4
SCHEMBL6098344 0.84 CHRNB4 (0.39) SMYD3DRD4NPC1RAB9A
SCHEMBL7127599 0.84 NAAA (0.49) NPC1RAB9AGRM5
SCHEMBL7121745 0.84 CHRNB2 (0.40) SMYD3DRD4PLAU
SCHEMBL7124881 0.83 SLC6A2 (0.44) SMYD3ALDH1A1SMN1; SMN2
SCHEMBL7124945 0.83 CHRNA7 (0.37) SMYD3DRD4
SCHEMBL6100300 0.83 ABL1 (0.43) HPGDSHTR4

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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease 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 (2 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 HPGDS 1949/4885SMYD3 4155/4885KDM4E 392/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HPGDS 1600/4885SMYD3 2213/4885KDM4E 1589/4885

“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.