SCHEMBL2647752

SCHEMBL2647752

CC(C)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.51
IDO1 P14902 2/20 0.48
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.44
NLRP1 Q9C000 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL14438275 0.85 MEN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL19862553 0.81 CXCR3 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL18685093 0.81 CCR5 (0.48) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL14438295 0.81 MEN1 (0.57) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL12312605 0.81 P2RX7 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL14114856 0.81 POLB (0.64) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL25453552 0.80 MEN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL23754506 0.80 MEN1 (0.68) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL29864910 0.80 MEN1 (0.68) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL23754498 0.80 MEN1 (0.68) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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
CN-113381006-B Composite cathode material, preparation method thereof and lithium ion battery 中国科学院过程工程研究所 2022-09-20 CN claimed
CN-113381006-B Composite cathode material, preparation method thereof and lithium ion battery 中国科学院过程工程研究所 2022-09-20 CN disclosed
WO-2012136873-A2 TRPV1 ANTAGONISTS AND USES THEREOF UNIVERSIDAD MIGUEL HERNÁNDEZ DE ELCHE (ES) 2012-10-11 WO disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
US-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 US disclosed
EP-1538903-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004024066-A2 METHOD OF TREATING DIABETES AND RELATED CONDITIONS MERCK & CO., INC. (US) 2004-03-25 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 (4 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 MEN1 4436/4885KMT2A 1211/4885CYP1A2 1309/4885
US-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 MEN1 824/4885KMT2A 1262/4885CYP1A2 3029/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 MEN1 2811/4885KMT2A 3141/4885CYP1A2 1188/4885
US-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR MEN1 4082/4885KMT2A 3570/4885CYP1A2 682/4885

“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.