SCHEMBL9018985

SCHEMBL9018985

Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
ADRB1 P08588 1/20 0.56
DPP4 P27487 1/20 0.55
NPY5R Q15761 1/20 0.55
ALDH1A1 P00352 4/20 0.54
KCNH2 Q12809 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C9 P11712 3/20 0.52
USP2 O75604 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.48

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
SCHEMBL10373770 0.84 ADRB1 (0.74) SMN1; SMN2RAB9ANPC1ADRB1ALDH1A1
SCHEMBL11103700 0.84 ADRB1 (0.74) SMN1; SMN2RAB9ANPC1ADRB1ALDH1A1
SCHEMBL2156435 0.83 ALDH1A1 (0.67) SMN1; SMN2ADRB1ALDH1A1NPSR1CYP2C9
SCHEMBL4572930 0.83 ADRA2C (0.62) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL21222876 0.82 DRD2 (0.55) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL20887238 0.82 NPY5R (0.57) SMN1; SMN2RAB9AKDM4ENPC1NPY5R
SCHEMBL29914647 0.82 DRD2 (0.55) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL20887246 0.82 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL1559291 0.82 NPY5R (0.56) SMN1; SMN2RAB9AKDM4ENPC1NPY5R
SCHEMBL19710856 0.81 HTR7 (0.47) SMN1; SMN2RAB9AKDM4ENPC1ADRB1

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
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-0708765-A4 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO INC (US) 1996-06-26 EP disclosed
EP-0708765-A1 SUBSTITUTED PIPERAZINYLCAMPHOR DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK & CO. INC. (US) 1996-05-01 EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 SMN1; SMN2 4355/4885RAB9A 493/4885KDM4E 2233/4885

“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.