SCHEMBL6431796

SCHEMBL6431796

NC(=O)c1ccc(C=C2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.49
POLB P06746 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
F2 P00734 2/20 0.46
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
OGA O60502 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL11942108 0.82 SRD5A2 (0.58) SRD5A2POLBNPC1RAB9ACA9
SCHEMBL6071351 0.80 MCHR1 (0.58) SRD5A2OGAALDH1A1MEN1KMT2A
SCHEMBL3276407 0.73 MEN1 (0.74) POLBPARP14PARP10CA2CA7
SCHEMBL376988 0.72 F2 (0.55) NPC1RAB9AF2MAPTTSHR
SCHEMBL6071365 0.72 F2 (0.53) SRD5A2F2PARP14PARP10OGA
SCHEMBL1377551 0.72 CHRNA7 (0.54) NPC1RAB9AF2MAPTTSHR
SCHEMBL2558628 0.72 ALDH1A1 (0.47) POLBNPC1RAB9AMAPTTSHR
Phenylpiperazine SCHEMBL29235064 0.71 TSHR (0.69) POLBNPC1RAB9APARP14PARP10
SCHEMBL12999038 0.71 MAPT (0.55) NPC1RAB9AMAPTTSHRL3MBTL1
Hydrochloric Acid SCHEMBL27341271 0.70 PARP14 (0.54) POLBNPC1RAB9AF2PARP14

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-6838468-B2 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2005-01-04 US disclosed
US-20040147553-A1 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-29 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-20040147553-A1 4-(phenyl-piperdin-4-ylidene methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR1D, OPRD1, HTR2C SRD5A2 905/4885POLB 2117/4885NPC1 470/4885

“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.