SCHEMBL223348

SCHEMBL223348

NCCC1c2ccccc2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.67
HRH1 P35367 3/20 0.61
IDO1 P14902 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KMT2A Q03164 1/20 0.40
TDO2 P48775 1/20 0.40
RET P07949 1/20 0.39
HTR2C P28335 1/20 0.39
GPR3 P46089 1/20 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
SCHEMBL5264638 0.88 HTR2A (0.66) HTR2AHRH1IDO1CA1CA2
SCHEMBL5353138 0.85 HTR2A (0.64) HTR2AHRH1CA1CA2KMT2A
SCHEMBL1199989 0.85 HTR2A (0.59) HTR2AHRH1IDO1CA1CA2
SCHEMBL7574105 0.82 HTR2A (0.61) HTR2AHRH1CA1CA2KMT2A
SCHEMBL17022715 0.82 HTR2A (0.61) HTR2AHRH1CA1CA2KMT2A
Hydrochloric Acid SCHEMBL6557729 0.80 HTR2A (0.58) HTR2AHRH1CA1CA2KMT2A
SCHEMBL29902960 0.80 HTR2A (1.00) HTR2AHRH1CA1CA2KMT2A
SCHEMBL1402081 0.80 HTR2A (1.00) HTR2AHRH1CA1CA2KMT2A
Hydrochloric Acid SCHEMBL8638272 0.79 HTR2A (0.48) HTR2AHRH1KMT2AGPR3
Hydrochloric Acid SCHEMBL3895426 0.78 HTR2A (0.95) HTR2AHRH1CA1CA2KMT2A

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 40 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-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-20120015025-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2012-01-19 US disclosed
EP-1921086-A1 ANTITUMOR AGENT Otsuka Pharmaceutical Co., Ltd. (JP) 2008-05-14 EP disclosed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO 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-4847241-A ANALGESICS G. D. SEARLE & CO. (US) 1989-07-11 US 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
EP-0163458-A1 Tetrahydronaphthalenols for the treatment of hypertension E.R. Squibb & Sons, Inc. (US) 1985-12-04 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 (5 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-20130101679-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 HTR2A 4162/4885HRH1 4859/4885IDO1 2121/4885
US-20120015025-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 HTR2A 4162/4885HRH1 4859/4885IDO1 2121/4885
US-20150374730-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 HTR2A 4162/4885HRH1 4859/4885IDO1 2121/4885
US-20060193903-A1 Glycoside-containing liposome FUT5, FUT6, ALG1 HTR2A 3019/4885HRH1 4272/4885IDO1 2564/4885
US-20140178464-A1 CHOLESTANOL DERIVATIVE FOR COMBINED USE ALG1, FUT5, ALG8 HTR2A 4162/4885HRH1 4859/4885IDO1 2121/4885

“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.