SCHEMBL15979568

SCHEMBL15979568

CC(=O)N1CCN(c2ccc(F)cc2OCCN(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
AVPR1A P37288 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CCR3 P51677 1/20 0.40
RORC P51449 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL15703606 0.87 LMNA (0.44) TP53SMN1; SMN2LMNAMAPTSUV39H2
SCHEMBL14647153 0.81 HTR6 (0.47) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL19049376 0.80 TP53 (0.52) TP53ALDH1A1SMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL15703234 0.80 HTR6 (0.46) LMNAMAPTHTR2AHTR2CHTR2B
SCHEMBL5988851 0.74 ALDH1A1 (0.65) TP53ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL18711276 0.74 TP53 (0.56) TP53ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5987669 0.73 TP53 (0.55) TP53ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL15979569 0.73 AVPR1A (0.58) TP53ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL18261150 0.70 ALDH1A1 (0.60) TP53ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL14922303 0.70 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTL3MBTL1

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 TP53 171/4885HRH3 917/4885ALDH1A1 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.