SCHEMBL12445279

SCHEMBL12445279

C[C@@H]1CN(c2cc(N3CCCS3(=O)=O)ccc2F)C[C@H](C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
PARP1 P09874 2/20 0.38
TP53 P04637 3/20 0.37
GHSR Q92847 4/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
BRD4 O60885 1/20 0.36
POLB P06746 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CDK2 P24941 1/20 0.36
KIF18A Q8NI77 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA6 P23280 1/20 0.35
OPRK1 P41145 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2361186 0.84 GHSR (0.47) TP53GHSR
SCHEMBL2361185 0.84 GHSR (0.47) TP53GHSR
SCHEMBL12444833 0.84 GHSR (0.47) TP53GHSR
SCHEMBL2359685 0.81 MAPT (0.42) PARP1TP53SLC6A2SLC6A4SLC6A3
SCHEMBL12445159 0.78 ALDH1A1 (0.41) PARP1TP53SLC6A2SLC6A4SLC6A3
SCHEMBL12445151 0.71 CA1 (0.47) AKR1C3TP53SLC6A2SLC6A4SLC6A3
SCHEMBL15786413 0.68 PARP1 (0.47) PARP1TP53CDK1CDK2
SCHEMBL15783488 0.68 PARP1 (0.45) PARP1TP53POLBCDK1CDK2
SCHEMBL8312434 0.67 POLB (0.49) AKR1C3TP53SLC6A2SLC6A4SLC6A3
SCHEMBL18617274 0.67 HTT (0.38) GHSRBRD4

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-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US claimed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A AKR1C3 881/4885PARP1 1685/4885TP53 4150/4885

“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.