SCHEMBL6777378

SCHEMBL6777378

COc1ccc(Cl)c(N)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45
TUBB2B Q9BVA1 2/20 0.45
TUBB1 Q9H4B7 2/20 0.45
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
CYP19A1 P11511 1/20 0.40
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 4/20 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
SCHEMBL10945599 0.84 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28130643 0.83 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2848852 0.82 GAA (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10353931 0.81 CYP19A1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31484407 0.81 CYP19A1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL374322 0.80 GAA (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9417290 0.79 ALDH1A1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6776267 0.78 ALDH1A1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8990966 0.77 HTR2A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9455828 0.77 IDO1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1187331-C Esters of 3-hydroxy-piperidinemethanol derivatives JANSSEN PHARMACEUTICA NV (BE) 2005-02-02 CN disclosed
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
CN-1205004-A Novel esters of 3-hydroxy-piperidinemethanol derivatives JANSSEN PHARMACEUTICA NV (BE) 1999-01-13 CN 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 TUBB4A 3869/4885TUBB 3257/4885TUBA3C 1116/4885

“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.