SCHEMBL6771563

SCHEMBL6771563

COC(=O)c1cc(Cl)c(N)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
POLB P06746 2/20 0.58
GAA P10253 4/20 0.57
NQO2 P16083 5/20 0.48
ABL1 P00519 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 4/20 0.44
GALK1 P51570 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 3/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CFTR P13569 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL13255342 0.90 GAA (0.57) KDM4EPOLBGAANQO2ABL1
SCHEMBL10472303 0.88 GAA (0.55) KDM4EPOLBGAANQO2ABL1
SCHEMBL6782175 0.87 GAA (0.54) KDM4EPOLBGAANQO2ABL1
SCHEMBL22533721 0.85 GAA (0.53) KDM4EPOLBGAANQO2ABL1
SCHEMBL7358999 0.84 KDM4E (0.44) KDM4EPOLBGAANQO2HPGD
SCHEMBL6775493 0.84 HSD17B10 (0.46) KDM4EPOLBGAANQO2HPGD
SCHEMBL7852188 0.81 KDM4E (0.57) KDM4EPOLBGAANQO2ABL1
SCHEMBL1115896 0.81 GAA (0.48) KDM4EPOLBGAANQO2ABL1
SCHEMBL24453254 0.80 KDM4E (0.55) KDM4EPOLBGAANQO2ABL1
SCHEMBL4256804 0.79 GAA (0.49) KDM4EPOLBGAANQO2ABL1

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 10 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-1000028-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002494-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO 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 KDM4E 537/4885POLB 1826/4885GAA 350/4885

“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.