SCHEMBL223349

SCHEMBL223349

NCCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.74
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
TAAR1 Q96RJ0 8/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.39
HMGB1 P09429 1/20 0.38
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL5264634 0.90 PNMT (0.70) PNMTDRD2DRD4DRD3TAAR1
SCHEMBL5366733 0.89 PNMT (0.72) PNMTDRD2DRD4DRD3NPC1
SCHEMBL28661205 0.88 PNMT (0.68) PNMTDRD2DRD4DRD3TAAR1
SCHEMBL9859906 0.87 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6558685 0.87 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7603814 0.87 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL7609046 0.87 PNMT (0.70) PNMTDRD2DRD4DRD3NPC1
SCHEMBL4989872 0.85 PNMT (1.00) PNMTDRD2DRD4DRD3NPC1
SCHEMBL6674911 0.85 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5357887 0.85 PNMT (0.68) PNMTDRD2DRD4DRD3NPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374730-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2015-12-31 US disclosed
EP-2404608-B1 CHOLESTANOL DERIVATIVE FOR COMBINED USE OTSUKA PHARMA CO LTD (JP) 2015-04-01 EP disclosed
US-20140178464-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
EP-1921086-B1 ANTITUMOR AGENT OTSUKA PHARMA CO LTD (JP) 2014-04-16 EP disclosed
EP-2251014-B1 COMBINATIONS OF AN ANTI-CANCER AGENT AND A CHOLESTANOL DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2013-11-20 EP disclosed
US-20130101679-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE YAZAWA SHIN (JP) 2013-04-25 US disclosed
US-20120015025-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2012-01-19 US disclosed
US-20120009251-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2012-01-12 US disclosed
EP-2404608-A1 COMBINATION USE OF CHOLESTANOL DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-11 EP disclosed
US-8088744-B2 Cholestanol derivative for combined use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
EP-2251014-A1 COMBINED USE OF CHOLESTANOL DERIVATIVE Otsuka Pharmaceutical Co., Ltd. (JP) 2010-11-17 EP disclosed
US-20100062053-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-03-11 US disclosed
US-7465753-B2 Glycoside-containing liposome OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-16 US disclosed
EP-1921086-A1 ANTITUMOR AGENT Otsuka Pharmaceutical Co., Ltd. (JP) 2008-05-14 EP disclosed
US-20060193903-A1 Glycoside-containing liposome OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1647277-A1 GLYCOSIDE-CONTAINING LIPOSOME Otsuka Pharmaceutical Company, Limited (JP) 2006-04-19 EP disclosed
EP-0179630-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1990-03-07 EP disclosed
US-4663313-A N6 -tricyclic adenosines for treating hypertension WARNER-LAMBERT COMPANY (US) 1987-05-05 US disclosed
US-4593019-A Therapy for psychosis WARNER-LAMBERT COMPANY (US) 1986-06-03 US disclosed
EP-0179630-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 EP 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 (7 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-20120009251-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 PNMT 4080/4885DRD2 4016/4885DRD4 3940/4885
US-20130101679-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 PNMT 4080/4885DRD2 4016/4885DRD4 3940/4885
US-20120015025-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 PNMT 4080/4885DRD2 4016/4885DRD4 3940/4885
US-20150374730-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 PNMT 4080/4885DRD2 4016/4885DRD4 3940/4885
US-20060193903-A1 Glycoside-containing liposome FUT5, FUT6, ALG1 PNMT 3398/4885DRD2 4130/4885DRD4 4287/4885
US-20140178464-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 PNMT 4080/4885DRD2 4016/4885DRD4 3940/4885
US-20100062053-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 PNMT 4080/4885DRD2 4016/4885DRD4 3940/4885

“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.