SCHEMBL4872217

SCHEMBL4872217

O=C(OCc1ccccc1)N1CCC(N2CCCCC2=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.57
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRIN2B Q13224 8/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
ENPP2 Q13822 1/20 0.47
CYP3A4 P08684 3/20 0.46

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
SCHEMBL2855664 0.99 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL6969799 0.96 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL18032527 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL31435518 0.92 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL8940284 0.89 HDAC1 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL4869972 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL12815027 0.87 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23187621 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17825392 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1
SCHEMBL5866350 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368461-B2 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2008-05-06 US disclosed
EP-1444220-B1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
US-20050203113-A1 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2005-09-15 US disclosed
EP-1444220-A1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003037889-A1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
EP-0897913-B1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ASTRAZENECA AB (SE) 2003-04-16 EP disclosed
EP-0667858-B1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1999-08-25 EP disclosed
EP-0897913-A1 4-carboxamido piperidine derivatives and their use as neurokinine antagonists ZENECA LIMITED (GB) 1999-02-24 EP disclosed
US-5576333-A ASTHMA TREATMENT ZENECA LIMITED (GB) 1996-11-19 US disclosed
US-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
US-5559132-A ANTAGONIST OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 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 (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-20050203113-A1 Compounds and method for the treatment of overactive bladder TACR1, TACR2, BDKRB1 SMN1; SMN2 3425/4885NPC1 3642/4885RAB9A 2126/4885

“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.