SCHEMBL6775860

SCHEMBL6775860

COC1CN(C(=O)OC(C)(C)C)CCC1CN

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42
EPHX1 P07099 1/20 0.42
NR1H2 P55055 1/20 0.41
GPR119 Q8TDV5 3/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
PDE4B Q07343 1/20 0.39

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
SCHEMBL13349281 1.00 HPGD (0.43) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL7387263 1.00 HPGD (0.43) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL7387261 1.00 HPGD (0.43) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL855309 1.00 HPGD (0.43) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL8197412 1.00 HPGD (0.43) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL22413339 0.90 NR1H2 (0.49) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL2251815 0.90 NR1H2 (0.49) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL22413340 0.90 NR1H2 (0.49) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL2251816 0.90 NR1H2 (0.49) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL12356485 0.89 HPGD (0.43) HPGDALDH1A1MEN1MAPTKMT2A

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
WO-2023227125-A1 NEW FUSED-HETEROCYCLIC COMPOUND AS CDK INHIBITOR AND USE THEREOF 杭州德睿智药科技有限公司 2023-11-30 WO 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-1000028-A1 GASTROKINETIC MONOCYCLIC BENZAMIDES OF 3- OR 4-SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US 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

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 HPGD 2904/4885ALDH1A1 2457/4885MEN1 3358/4885

“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.