SCHEMBL6775906

SCHEMBL6775906

COc1c(C(=O)N2C=CNC2)cc(Cl)c(N)c1OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.35
ACHE P22303 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD11B1 P28845 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL505954 0.73 HTR4 (0.47) HTR4ACHE
SCHEMBL6775493 0.73 HSD17B10 (0.46) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL7358999 0.73 KDM4E (0.44) HTR4ACHEKDM4EPOLBGAA
SCHEMBL6771563 0.71 KDM4E (0.58) KDM4EPOLBGAAALDH1A1GLA
SCHEMBL6775905 0.69 AHR (0.38) HTR4ACHEKDM4EPOLBGAA
SCHEMBL7360962 0.67 KDM4E (0.39) HTR4ACHEKDM4EHSD11B1POLB
SCHEMBL27316021 0.65 HTR4 (0.39) HTR4ACHEKDM4EHSD11B1GAA
SCHEMBL7321633 0.64 KDM4E (0.41) HTR4ACHEKDM4EGAAALDH1A1
SCHEMBL7315145 0.64 HSD17B10 (0.46) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL856624 0.64 TPMT (0.49) KDM4EPOLBGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750349-B2 SUPERIOR GASTROKINETIC PROPERTIES JANSSEN PHARMACEUTICS, N.V. (BE) 2004-06-15 US disclosed
EP-1000028-B1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-11-26 EP disclosed
US-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-04-24 US disclosed
US-6452013-B1 FOR TREATING CONDITIONS WHICH ARE RELATED TO IMPAIRMENT OF GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2002-09-17 US disclosed
EP-0880500-B1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2002-07-31 EP disclosed
US-6096761-A REACTING A N-SUBSTITUTED 4-METHANOL-3-HYDROXY OR ALKOXY-PIPERIDINE INTERMEDIATE WITH A CARBOXYLIC ACID DERIVATIVES; ADMINISTERING TO AN ANIMAL SUFFERING WITH A CONDITION RELATED TO HAMPERED OR IMPAIRED GASTRIC EMPTYING JANSSEN PHARMACEUTICA N.V. (BE) 2000-08-01 US disclosed
EP-0880500-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997030031-A1 ESTERS OF 3-HYDROXY-PIPERIDINEMETHANOL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-21 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-20030078427-A1 Monocyclic benzamides of 3- or 4-substituted 4-(aminomethyl)-piperidine derivatives HRH2, ALK, CBR1 HTR4 124/4885ACHE 3975/4885KDM4E 537/4885

“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.