SCHEMBL361018

SCHEMBL361018

CN(C)CC[C@@H]1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.67
MCHR1 Q99705 3/20 0.53
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HRH3 Q9Y5N1 7/20 0.46
CYP2D6 P10635 3/20 0.46
HRH1 P35367 1/20 0.46
CYP26A1 O43174 1/20 0.44
FFAR1 O14842 1/20 0.44
FAAH O00519 4/20 0.43

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
SCHEMBL1269557 1.00 BACE1 (0.67) BACE1MCHR1ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL4622556 0.99 BACE1 (0.66) BACE1MCHR1ITGB3ITGA2BHRH3
Water SCHEMBL4978875 0.99 BACE1 (0.66) BACE1MCHR1ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL1269523 0.98 BACE1 (0.65) BACE1MCHR1ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL4345712 0.98 BACE1 (0.65) BACE1MCHR1ITGB3ITGA2BHRH3
SCHEMBL14440137 0.95 BACE1 (0.64) BACE1MCHR1ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL4621212 0.94 BACE1 (0.63) BACE1MCHR1ITGB3ITGA2BHRH3
SCHEMBL14440124 0.94 BACE1 (0.65) BACE1MCHR1ITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL4621171 0.93 BACE1 (0.64) BACE1MCHR1ITGB3ITGA2BHRH3
SCHEMBL14440125 0.93 BACE1 (0.64) BACE1MCHR1ITGB3ITGA2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270545-B1 PROCESS FOR PRODUCING AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2008-11-05 EP claimed
US-20050228020-A1 Beta secretase inhibitors MIYAMOTO MASAOMI 2005-10-13 US claimed
US-11559528-B2 BACE1 inhibition for the treatment of cancer THE CLEVELAND CLINIC FOUNDATION (US) 2023-01-24 US disclosed
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER THE CLEVELAND CLINIC FOUNDATION 2021-03-11 US disclosed
US-10098866-B2 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 US disclosed
US-20180256720-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-09-13 US disclosed
US-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE TAKEDA PHARMACEUTICALS CO (JP) 2017-01-26 US disclosed
EP-1801232-B1 METHOD OF SCREENING TRANSMEMBRANE ENZYME INHIBITORY SUBSTANCE TAKEDA PHARMACEUTICAL (JP) 2012-03-14 EP disclosed
EP-2305219-A1 Pharmaceutical preparations coated with a copolyvidone-containing coating Takeda Pharmaceutical Company Limited (JP) 2011-04-06 EP disclosed
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2009-11-05 US disclosed
US-20080220445-A1 Method of Screening Transmembrane Enzyme Inhibitory Substance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-11 US disclosed
US-20080220445-A1 Method of Screening Transmembrane Enzyme Inhibitory Substance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-11 US disclosed
EP-1801232-A1 METHOD OF SCREENING TRANSMEMBRANE ENZYME INHIBITORY SUBSTANCE Takeda Pharmaceutical Company Limited (JP) 2007-06-27 EP disclosed
US-20050085553-A1 Remedies for mild recognition deflict TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-21 US disclosed
EP-1459764-A1 REMEDIES FOR MILD RECOGNITION DEFLICT Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-01-29 US disclosed
EP-1334732-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE Takeda Chemical Industries, Ltd. (JP) 2003-08-13 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 (8 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-20170020841-A1 PHARMACEUTICAL PREPARATION CONTAINING COPOLYVIDONE PRCP, COPS6, COPS5 BACE1 4855/4885MCHR1 1553/4885ITGB3 3211/4885
US-11559528-B2 BACE1 inhibition for the treatment of cancer BACE1, BACE2, APP BACE1 1/4885MCHR1 4515/4885ITGB3 2766/4885
US-20090274733-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 BACE1 4855/4885MCHR1 1553/4885ITGB3 3211/4885
US-20040018239-A1 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 BACE1 4855/4885MCHR1 1553/4885ITGB3 3211/4885
US-20050085553-A1 Remedies for mild recognition deflict ACHE, CHAT, PSEN1 BACE1 6/4885MCHR1 1973/4885ITGB3 4360/4885
US-10098866-B2 Pharmaceutical preparation containing copolyvidone PRCP, COPS6, COPS5 BACE1 4855/4885MCHR1 1553/4885ITGB3 3211/4885
US-20210069205-A1 BACE1 INHIBITION FOR THE TREATMENT OF CANCER BACE1, BACE2, APP BACE1 1/4885MCHR1 4515/4885ITGB3 2766/4885
US-20050228020-A1 Beta secretase inhibitors BACE1, BACE2, APP BACE1 1/4885MCHR1 1502/4885ITGB3 2638/4885

“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.