SCHEMBL1819320

SCHEMBL1819320

Brc1ccc2c(c1)C1CCC2C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.41
KDM1B Q8NB78 1/20 0.41
SLC6A4 P31645 2/20 0.40
CHRNB2 P17787 7/20 0.38
CHRNA4 P43681 7/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
RARG P13631 2/20 0.37
RARB P10826 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL20627668 1.00 KDM1A (0.41) KDM1AKDM1BSLC6A4CHRNB2CHRNA4
SCHEMBL16905177 0.91 PTGDR (0.40) KDM1AKDM1BSLC6A4NOS3NOS1
SCHEMBL5769118 0.81 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL16905434 0.80 KDM1A (0.40) KDM1AKDM1BSLC6A4CHRNB2CHRNA4
SCHEMBL30014308 0.80 KDM1A (0.40) KDM1AKDM1BSLC6A4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6393568 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15416743 0.75 CHRNB2 (0.34) KDM1AKDM1BSLC6A4CHRNB2CHRNA4
SCHEMBL3404594 0.74 HSP90AA1 (0.39) KDM1AKDM1BSLC6A4NOS3NOS1
SCHEMBL19295072 0.74 HSD17B1 (0.34) KDM1ASLC6A4
SCHEMBL451775 0.73 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3RARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3642258-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-04-03 EP disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11393988-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-07-19 US disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 EP disclosed
EP-3102650-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-08-29 EP disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
EP-3094638-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-11-08 EP disclosed
WO-2014023377-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-02-13 WO disclosed
EP-1963251-B1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2012-08-15 EP disclosed
EP-2316814-A1 Process for preparation of halogen substituted benzonorbornenes derivatives Syngenta Participations AG (CH) 2011-05-04 EP disclosed
EP-2316813-A1 Process for the preparation of amines Syngenta Participations AG (CH) 2011-05-04 EP disclosed
EP-2316809-A1 Process for the preparation of benzonorbornane derivatives Syngenta Participations AG (CH) 2011-05-04 EP disclosed
US-7781615-B2 Process for the preparation of amines SYNGENTA CROP PROTECTION, INC. (US) 2010-08-24 US disclosed
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 US disclosed
EP-1963251-A2 PROCESS FOR THE PREPARATION OF AMINES Syngeta Participations AG (CH) 2008-09-03 EP disclosed
WO-2007068417-A2 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA PARTICIPATIONS AG (CH) 2007-06-21 WO disclosed
US-4980509-A Aromatic polycyclic derivatives, their process of preparation and their use in human and veterinary medicine and in cosmetics SOCIETE ANONYME DITE: L'OREAL (FR) 1990-12-25 US 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-11393988-B2 Metal complexes SOD1, AP1M1, AP3M1 KDM1A 4098/4885KDM1B 3685/4885SLC6A4 2877/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 KDM1A 4098/4885KDM1B 3685/4885SLC6A4 2877/4885
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES HRH3, PAH, C1R KDM1A 272/4885KDM1B 161/4885SLC6A4 4435/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 KDM1A 3005/4885KDM1B 2965/4885SLC6A4 3969/4885

“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.