SCHEMBL19114648

SCHEMBL19114648

CC(S)N(C)CCN1CCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 14/20 0.35
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ PRMT8 Q9NR22 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL19114842 0.96 SIGMAR1 (0.39) SIGMAR1CARM1PRMT6PRMT8HRH3
SCHEMBL19325780 0.86 PAOX (0.32) SIGMAR1
SCHEMBL13397359 0.83 SIGMAR1 (0.37) SIGMAR1CARM1PRMT6PRMT8HRH3
SCHEMBL19114865 0.82 ALDH1A1 (0.38) —
SCHEMBL10104195 0.78 SIGMAR1 (0.41) SIGMAR1CARM1PRMT6PRMT8HRH3
SCHEMBL792167 0.77 SIGMAR1 (0.41) SIGMAR1HRH3TP53CYP1A2CYP2D6
SCHEMBL25906114 0.75 HRH3 (0.36) HRH3
SCHEMBL25908071 0.75 HRH3 (0.36) HRH3
SCHEMBL18959354 0.73 ALOX15 (0.32) SIGMAR1
SCHEMBL9927905 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227342-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2019-03-12 — — US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 — — 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 (2 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-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 SIGMAR1 3422/4885CARM1 2241/4885PRMT6 3480/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 SIGMAR1 3422/4885CARM1 2241/4885PRMT6 3480/4885

“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.

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