SCHEMBL25966239

SCHEMBL25966239

CC(=O)N(C)[C@@H]1CCN(c2cccc(Br)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.53
MCHR1 Q99705 2/20 0.51
SETD2 Q9BYW2 2/20 0.50
PIK3CD O00329 1/20 0.43
MAP4K4 O95819 1/20 0.43
NOTUM Q6P988 4/20 0.43
HRH3 Q9Y5N1 1/20 0.41
NSD2 O96028 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
EPHX2 P34913 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL25966616 1.00 NPY5R (0.53) NPY5RMCHR1SETD2PIK3CDMAP4K4
SCHEMBL26881424 0.93 NPY5R (0.47) NPY5RMCHR1SETD2PIK3CDMAP4K4
SCHEMBL14321771 0.92 NPY5R (0.61) NPY5RMCHR1SETD2PIK3CDEPHX2
SCHEMBL14905667 0.90 NPY5R (0.53) NPY5RMCHR1SETD2NOTUMEPHX2
SCHEMBL19710460 0.86 NOTUM (0.60) NPY5RMCHR1SETD2PIK3CDMAP4K4
SCHEMBL4186891 0.84 NPY5R (0.48) NPY5RMCHR1NOTUMALOX5
SCHEMBL19702028 0.82 NOTUM (0.62) MCHR1SETD2PIK3CDMAP4K4NOTUM
SCHEMBL14321789 0.82 NPY5R (0.61) NPY5RNOTUMEPHX2ALOX5
SCHEMBL26881412 0.80 NPY5R (0.56) NPY5RPIK3CDALOX5
SCHEMBL26881395 0.80 NPY5R (0.56) NPY5RPIK3CDALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 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-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 NPY5R 3354/4885MCHR1 4663/4885SETD2 1345/4885

“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.