SCHEMBL15979569

SCHEMBL15979569

CC(=O)N1CCN(c2ccc(F)cc2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.58
TP53 P04637 1/20 0.55
ALDH1A1 P00352 4/20 0.55
ADAMTS5 Q9UNA0 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.49
NOTUM Q6P988 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
AKR1C3 P42330 1/20 0.47
NCF1 P14598 1/20 0.47
ACLY P53396 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL18711276 0.86 TP53 (0.56) AVPR1ATP53ALDH1A1MAPTLMNA
SCHEMBL5987669 0.84 TP53 (0.55) AVPR1ATP53ALDH1A1MAPTLMNA
SCHEMBL5988851 0.83 ALDH1A1 (0.65) AVPR1ATP53ALDH1A1MAPTLMNA
SCHEMBL5913300 0.81 MAPT (0.55) AVPR1ATP53ALDH1A1ADAMTS5MAPT
SCHEMBL24518343 0.81 ALDH1A1 (0.55) AVPR1AALDH1A1MAPTLMNAHTT
SCHEMBL17403821 0.81 MAPT (0.55) TP53ALDH1A1MAPTLMNAHTT
SCHEMBL188894 0.81 MAPT (0.61) ALDH1A1MAPTLMNAHTTTSHR
SCHEMBL19049376 0.81 TP53 (0.52) TP53ALDH1A1MAPTLMNAHTT
SCHEMBL18261150 0.79 ALDH1A1 (0.60) AVPR1ATP53ALDH1A1MAPTHTT
SCHEMBL5989854 0.79 MAPT (0.72) ALDH1A1MAPTLMNAHTTSMN1; SMN2

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
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 AVPR1A 1779/4885TP53 171/4885ALDH1A1 532/4885

“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.