SCHEMBL21135496

SCHEMBL21135496

OC[C@@H]1CCCN(c2ccc(Cl)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
TYMP P19971 2/20 0.47
EPHX2 P34913 1/20 0.44
CYP2D6 P10635 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CNR1 P21554 1/20 0.43
WDR91 A4D1P6 1/20 0.43
MAP4K4 O95819 1/20 0.42
ALOX5 P09917 1/20 0.41
JAK2 O60674 1/20 0.41
SYK P43405 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL6271445 1.00 NOTUM (0.49) NOTUMTYMPEPHX2CYP2D6HTR3E
SCHEMBL21135458 1.00 NOTUM (0.49) NOTUMTYMPEPHX2CYP2D6HTR3E
SCHEMBL6271661 0.90 NOTUM (0.55) NOTUMHTR3EHTR3BADRB1HTR3A
SCHEMBL21136628 0.90 NOTUM (0.55) NOTUMHTR3EHTR3BADRB1HTR3A
SCHEMBL7790528 0.84 EPHX2 (0.51) TYMPEPHX2CYP2D6ADRB1MAP4K4
SCHEMBL77035 0.84 KDM4E (0.49) TYMPCYP2D6MAP4K4JAK2SYK
SCHEMBL28984336 0.84 KMT2A (0.46) NOTUMHTR3EHTR3BADRB1HTR3A
SCHEMBL21135466 0.84 CYP3A4 (0.56) NOTUMTYMPMAP4K4JAK2SYK
SCHEMBL21135575 0.84 CYP3A4 (0.56) NOTUMTYMPMAP4K4JAK2SYK
SCHEMBL7146014 0.84 CYP3A4 (0.56) NOTUMTYMPMAP4K4JAK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 NOTUM 2703/4885TYMP 1450/4885EPHX2 658/4885

“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.