SCHEMBL2260183

SCHEMBL2260183

CN(C)CCc1cncc(Br)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.55
CHRNA7 P36544 1/20 0.50
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
KMT2A Q03164 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL18474496 0.89 NOS3 (0.50) TAAR1CHRNA7HCRTR1HCRTR2HRH3
SCHEMBL2478342 0.83 SIGMAR1 (0.42) TAAR1CHRNA7HCRTR1HCRTR2
SCHEMBL3723569 0.80 CHRNB2 (0.47) TAAR1HRH3KMT2A
SCHEMBL16213454 0.80 KMT2A (0.49) TAAR1HCRTR1HCRTR2KMT2A
SCHEMBL25975331 0.78 CHRNA7 (0.52) TAAR1CHRNA7HRH3NOS3NOS1
SCHEMBL13430051 0.78 POLB (0.36) HCRTR1HCRTR2KMT2A
SCHEMBL17048233 0.78 HTT (0.42) HCRTR1HCRTR2
SCHEMBL26031611 0.77 CHRNA7 (0.50) TAAR1CHRNA7HRH3NOS3NOS1
SCHEMBL16213390 0.75 KDM4E (0.41) HCRTR1HCRTR2
SCHEMBL188469 0.74 SMN1; SMN2 (0.44) HCRTR1HCRTR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743447-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
EP-4743178-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2026-05-20 EP disclosed
WO-2025016906-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-01-23 WO disclosed
WO-2025016909-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER AND METABOLIC DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-01-23 WO disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
EP-2785695-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
WO-2013079452-A1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO disclosed
US-20120309743-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-06 US disclosed
US-20120302551-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8268992-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 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 (6 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-20120302551-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 TAAR1 1680/4885CHRNA7 4608/4885HCRTR1 3991/4885
US-20100179126-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 TAAR1 1680/4885CHRNA7 4608/4885HCRTR1 3991/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 TAAR1 1680/4885CHRNA7 4608/4885HCRTR1 3991/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 TAAR1 1680/4885CHRNA7 4608/4885HCRTR1 3991/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 TAAR1 1680/4885CHRNA7 4608/4885HCRTR1 3991/4885
US-20120309743-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 TAAR1 1680/4885CHRNA7 4608/4885HCRTR1 3991/4885

“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.