SCHEMBL7075331

SCHEMBL7075331

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2ccccc2F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PAX8 Q06710 1/20 0.34
PLK4 O00444 1/20 0.34
PDPK1 O15530 1/20 0.34
DAPK3 O43293 1/20 0.34

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 SCHEMBL7077995 0.99 USP30 (0.39) USP30MAPK11MAPK14CHRNB2CHRNA4
SCHEMBL7233042 0.93 USP30 (0.36) USP30MAPK11MAPK14CHRNB2CHRNA4
SCHEMBL7223521 0.90 PIM1 (0.39) USP30CHRNB2CHRNA4PIM1PIM3
SCHEMBL7234311 0.90 USP30 (0.39) USP30MAPK11MAPK14HTR3EHTR3B
SCHEMBL7223374 0.89 CHRNB2 (0.36) USP30MAPK11MAPK14CHRNB2CHRNA4
SCHEMBL7225497 0.89 HDAC3 (0.37) CHRNB2CHRNA4PIM1
SCHEMBL7225191 0.89 ADORA2B (0.35) USP30CHRNB2CHRNA4PIM1PIM3
SCHEMBL7234785 0.89 PIM1 (0.34) USP30MAPK11MAPK14CHRNB2CHRNA4
SCHEMBL7227071 0.89 HDAC3 (0.44) CHRNB2CHRNA4
SCHEMBL7233186 0.89 USP30 (0.39) USP30MAPK11MAPK14HTR3EHTR3B

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 USP30 1488/4885MAPK11 4628/4885MAPK14 4692/4885

“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.