SCHEMBL3883327

SCHEMBL3883327

Cc1c(C(N)=O)ccc(-c2ccccc2O)c1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
ACVR1 Q04771 5/20 0.41
TGFBR1 P36897 1/20 0.40
HTR7 P34969 3/20 0.38
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 3/20 0.36
HTR6 P50406 1/20 0.36
MAPT P10636 1/20 0.36
CCR4 P51679 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6262440 0.87 RXFP1 (0.42) ACVR1TGFBR1HTR7HSD17B10MAPT
SCHEMBL18171738 0.79 ACVR1 (0.45) ACVR1TGFBR1HTR7CCR4ADRB1
SCHEMBL6746969 0.75 ACVR1 (0.41) ACVR1TGFBR1HTR7ALDH1A1HSD17B10
SCHEMBL27675711 0.72 ADRB1 (0.49) ACVR1TGFBR1HTR7HSD17B10KDM4E
SCHEMBL6389895 0.71 KDM4E (0.57) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL16600110 0.71 BTK (0.42) ACVR1HTR7ALDH1A1HPGDHTR6
Hydrochloric Acid SCHEMBL31349206 0.71 ADRB1 (0.47) ACVR1TGFBR1HTR7HSD17B10KDM4E
SCHEMBL1742844 0.71 ADRB1 (0.59) HTR7HSD17B10TSHRHTR6NPC1
SCHEMBL1742849 0.71 ADRB1 (0.47) ACVR1HTR7ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL27844227 0.71 ADRB1 (0.47) ACVR1TGFBR1HTR7HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501513-B1 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS VERSI GROUP LLC (US) 2014-04-16 EP disclosed
EP-1395567-B1 4 (PHENYL-PIPERAZINYL-METHYL) BENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PAIN ANXIETY OR GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-6696447-B2 ANALGESICS; GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2004-02-24 US disclosed
US-20030139421-A1 Hydroxyphenyl-piperazinyl-methyl-benzamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2003-07-24 US disclosed
CN-1422266-A Hydroxyphenyl-piperazinyl-methyl-benzamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2003-06-04 CN disclosed
CN-1422266-A Hydroxyphenyl-piperazinyl-methyl-benzamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2003-06-04 CN 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-20030139421-A1 Hydroxyphenyl-piperazinyl-methyl-benzamide derivatives for the treatment of pain OPRM1, OPRK1, PTGER1 SMARCA2 3914/4885SMARCA4 4219/4885PBRM1 462/4885

“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.