SCHEMBL34463413

SCHEMBL34463413

CC1CCc2cc(Br)cnc2N1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.40
PDE10A Q9Y233 3/20 0.34
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
AKR1B1 P15121 1/20 0.32
PLK4 O00444 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL17018037 1.00 NNMT (0.40) NNMTPDE10AADRA2APNMTADRA2B
SCHEMBL20075991 0.83 NNMT (0.56) NNMTADRA2APNMTADRA2BADRA2C
SCHEMBL23938133 0.81 NNMT (0.41) NNMTPDE10AAR
SCHEMBL21745578 0.81 NNMT (0.41) NNMTPDE10AAR
SCHEMBL29349046 0.80 NNMT (0.31) NNMT
SCHEMBL20731022 0.80 NNMT (0.43) NNMTPDE10AAR
SCHEMBL23938078 0.80 NNMT (0.40) NNMTPDE10AAR
SCHEMBL13352184 0.78 NNMT (0.32) NNMTAKR1B1
SCHEMBL13352183 0.78 NNMT (0.32) NNMTAKR1B1
SCHEMBL24823955 0.76 AKR1B1 (0.42) NNMTAKR1B1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260102404-A1 THYROID STIMULATING HORMONE RECEPTOR (TSHR) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2026-04-16 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 (1 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-20260102404-A1 THYROID STIMULATING HORMONE RECEPTOR (TSHR) ANTAGONISTS AND USES THEREOF TSHR, TRHR, THRB NNMT 3486/4885PDE10A 1664/4885ADRA2A 129/4885

“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.