SCHEMBL13675357

SCHEMBL13675357

CCc1cccc(C(=O)NCCN2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.58
CACNA1G O43497 7/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
ERN1 O75460 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL12334148 0.99 NPSR1 (0.58) PARP1CACNA1GNPSR1CYP1A2CYP2D6
SCHEMBL13061007 0.93 ERN1 (0.64) PARP1CACNA1GNPSR1CYP1A2CYP2D6
SCHEMBL5476524 0.93 SMYD2 (0.62) PARP1HPGDKMT2AMEN1L3MBTL1
SCHEMBL13060642 0.91 ERN1 (0.62) PARP1CACNA1GNPSR1ERN1KMT2A
SCHEMBL10264071 0.88 CYP2C19 (0.69) PARP1CYP1A2CYP2D6CYP2C9ERN1
SCHEMBL19634715 0.87 PARP1 (0.58) PARP1CACNA1GNPSR1CYP1A2CYP2D6
SCHEMBL13060850 0.86 SMYD2 (0.67) PARP1ERN1HPGDKMT2AMEN1
Hydrochloric Acid SCHEMBL2457432 0.85 ALDH1A1 (0.56) PARP1CACNA1GNPSR1CYP1A2CYP2D6
SCHEMBL842621 0.84 HSD17B10 (0.70) CACNA1GNPSR1CYP1A2CYP2D6CYP2C9
SCHEMBL8432036 0.84 NPSR1 (0.70) CACNA1GNPSR1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 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 (2 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 PARP1 2340/4885CACNA1G 1888/4885NPSR1 95/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 PARP1 2455/4885CACNA1G 1330/4885NPSR1 126/4885

“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.