SCHEMBL4657181

SCHEMBL4657181

CCc1c(C#N)cc2ccccc2c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
DHODH Q02127 1/20 0.41
XDH P47989 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
GPR35 Q9HC97 2/20 0.39
POLB P06746 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38

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
SCHEMBL4031840 0.87 KDM4E (0.39) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL6603195 0.85 POLB (0.42) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL6604113 0.85 KDM4E (0.47) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL6517134 0.81 KMT2A (0.56) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL1079661 0.80 MEN1 (0.59) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL6604281 0.80 KDM4E (0.47) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL27541400 0.79 KDM4E (0.58) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL28850225 0.79 KMT2A (0.58) ALDH1A1KDM4EMEN1CYP1A2GLA
SCHEMBL5166643 0.78 CLK1 (0.40) ALDH1A1KDM4EMEN1KMT2ACLK1
SCHEMBL5169185 0.78 CLK1 (0.40) ALDH1A1KDM4EMEN1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1278719-B1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1549615-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-6903092-B2 Naphthamide neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
WO-2004020411-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2004-03-11 WO disclosed
US-20030158180-A1 Naphthamide neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2003-08-21 US disclosed
EP-1278719-A1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001077069-A1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 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 (3 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-20030158180-A1 Naphthamide neurokinin antagonists for use as medicaments NTSR2, NPPA, NPSR1 ALDH1A1 1875/4885KDM4E 4809/4885MEN1 464/4885
US-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 ALDH1A1 153/4885KDM4E 197/4885MEN1 2413/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 ALDH1A1 1260/4885KDM4E 2393/4885MEN1 930/4885

“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.