SCHEMBL29920874

SCHEMBL29920874

Clc1cc(NCC2=NCCN2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
NISCH Q9Y2I1 1/20 0.56
ADRA2C P18825 11/20 0.55
ADRA2B P18089 9/20 0.55
ADRA1D P25100 12/20 0.47
ADRA1A P35348 12/20 0.47
ADRA1B P35368 11/20 0.47
ADRA2A P08913 8/20 0.47
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL3178321 1.00 MAOA (0.56) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL11259524 0.87 MAOA (0.60) MAOAMAOBNISCHADRA2CADRA2B
Hydrochloric Acid SCHEMBL11254132 0.86 MAOA (0.59) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL3172126 0.81 MAOA (0.56) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL3173010 0.79 MAOA (0.71) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL3169152 0.77 MAOA (0.68) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL18136160 0.73 MAOA (0.57) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL15378775 0.73 MAOA (0.57) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL18330525 0.73 MAOA (0.71) MAOAMAOBNISCHADRA2CADRA2B
Phenamazoline SCHEMBL936813 0.72 MAOA (1.00) MAOAMAOBNISCHADRA2CADRA2B

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-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 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-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 MAOA 360/4885MAOB 454/4885NISCH 2544/4885

“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.