SCHEMBL3780558

SCHEMBL3780558

Cc1ccccc1[C@@H](C)Nc1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.44
ADRA2C P18825 8/20 0.44
ADRA1D P25100 5/20 0.44
ADRA1A P35348 5/20 0.44
ADRA1B P35368 5/20 0.44
ADRB2 P07550 1/20 0.42
FDPS P14324 1/20 0.41
EGFR P00533 1/20 0.39
ADRA2B P18089 2/20 0.38
TAAR1 Q96RJ0 3/20 0.38
SOS1 Q07889 1/20 0.38
ACACB O00763 1/20 0.37
FFAR2 O15552 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL1843836 1.00 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844707 0.83 ADRA2A (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844705 0.83 ADRA2A (0.51) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL3786576 0.79 GAA (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1845858 0.79 GAA (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844519 0.78 ADRA2A (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL1844522 0.78 ADRA2A (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2625552 0.72
SCHEMBL15087184 0.71 ADRA2A (0.64) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL9021052 0.71 ADRB2 (0.44) ADRA2CADRB2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US claimed
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
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
US-7858653-B2 2-imidazoles HOFFMAN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080146634-A1 2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-06-19 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 (3 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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 ADRA2A 6/4885ADRA2C 27/4885ADRA1D 20/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 ADRA2A 6/4885ADRA2C 34/4885ADRA1D 29/4885
US-20080146634-A1 2-IMIDAZOLES ABL1, H1-2, IPO4 ADRA2A 84/4885ADRA2C 13/4885ADRA1D 171/4885

“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.