SCHEMBL8209200

SCHEMBL8209200

c1ccc2c(c1)OCCN2Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
FNTA P49354 9/20 0.46
FNTB P49356 9/20 0.46
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.42
ADRA1A P35348 1/20 0.41
GRM5 P41594 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL8204782 0.76 KMT2A (0.42) KMT2ATSHRGRM5
SCHEMBL508524 0.76 TAAR1 (1.00) TAAR1FNTAFNTBKMT2AADRA1A
SCHEMBL3527996 0.74 TAAR1 (1.00) TAAR1FNTAFNTBKMT2ATSHR
SCHEMBL9147970 0.73 TSHR (0.58) KMT2ATSHRGRM5
SCHEMBL3527502 0.73 TAAR1 (0.92) TAAR1FNTAFNTBKMT2ATSHR
SCHEMBL3526671 0.73 GRM5 (0.46) KMT2ATSHRGRM5
SCHEMBL1736747 0.73 ALOX15 (0.46) TAAR1FNTAFNTBKMT2ATSHR
SCHEMBL8202717 0.73 HSD11B1 (0.47) TAAR1FNTAFNTBKMT2AADRA1A
SCHEMBL3528931 0.72 GRM5 (0.47) KMT2ATSHRGRM5
SCHEMBL12405541 0.71 GRM5 (0.47) KMT2ATSHRGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 WO 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 TAAR1 1/4885FNTA 3660/4885FNTB 3538/4885

“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.