SCHEMBL1999413

SCHEMBL1999413

NC(=O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 16/20 1.00
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ OPRM1 P35372 4/20 0.64
▸ OPRK1 P41145 1/20 0.59
▸ SLC6A4 P31645 1/20 0.55
▸ CYP2D6 P10635 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51

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
Hydrochloric Acid SCHEMBL6796503 0.99 OPRD1 (0.97) OPRD1MEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL6796629 0.87 OPRD1 (0.97) OPRD1MEN1KMT2AOPRM1OPRK1
Hydrochloric Acid SCHEMBL6791218 0.84 OPRD1 (0.97) OPRD1MEN1KMT2AOPRM1OPRK1
SCHEMBL219432 0.82 MEN1 (1.00) OPRD1MEN1KMT2AOPRM1SLC6A4
SCHEMBL2794662 0.82 MEN1 (1.00) OPRD1MEN1KMT2AOPRM1SLC6A4
Hydrochloric Acid SCHEMBL6790513 0.81 OPRD1 (0.97) OPRD1MEN1KMT2AOPRM1OPRK1
Piperazine SCHEMBL28229145 0.81 MEN1 (0.96) OPRD1MEN1KMT2AOPRM1SLC6A4
Fluoride SCHEMBL27959930 0.81 MEN1 (0.96) OPRD1MEN1KMT2AOPRM1SLC6A4
Hydrochloric Acid SCHEMBL7006476 0.81 MEN1 (0.96) OPRD1MEN1KMT2AOPRM1SLC6A4
Hydrochloric Acid SCHEMBL11456225 0.81 MEN1 (0.96) OPRD1MEN1KMT2AOPRM1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022074-B2 4-(phenyl-piperazinyl-methyl)benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-09-20 — — US disclosed
US-7960389-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-06-14 — — US disclosed
CN-100471844-C 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2009-03-25 — — CN disclosed
CN-100415729-C 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2008-09-03 — — CN disclosed
US-7396834-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2008-07-08 — — US disclosed
US-7253173-B2 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain of gastrointestinal disorders ASTRAZENECA AB (SE) 2007-08-07 — — US disclosed
US-7241764-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-07-10 — — US disclosed
US-7229994-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-06-12 — — US disclosed
CN-1269805-C 4- (phenyl-piperazinyl-methyl) -benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-08-16 — — CN disclosed
US-20060167004-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-07-27 — — US disclosed
US-20060142296-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-29 — — US disclosed
US-20060122193-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-06-08 — — US disclosed
CN-1711251-A 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2005-12-21 — — CN disclosed
CN-1711252-A 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2005-12-21 — — CN disclosed
CN-1527820-A 4-(phenyl-piperazinyl-methyl)benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestional disorders — 2004-09-08 — — CN disclosed
US-20040147526-A1 4(Phenyl-piperazinyl-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 (4 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-20060122193-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders OPRK1, TRPV1, OPRM1 OPRD1 5/4885MEN1 3459/4885KMT2A 363/4885
US-20060167004-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders TRPV1, OPRM1, OPRK1 OPRD1 8/4885MEN1 3692/4885KMT2A 270/4885
US-20040147526-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain anxiety or gastrointestinal disorders HTR2C, OPRM1, HTR3C OPRD1 7/4885MEN1 3710/4885KMT2A 1053/4885
US-20060142296-A1 4(Phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders OPRL1, OPRM1, TRPV1 OPRD1 8/4885MEN1 3803/4885KMT2A 113/4885

“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.

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