SCHEMBL2845500

SCHEMBL2845500

OC1CNCc2ccoc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 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
SCHEMBL15927301 0.77 TAAR1 (0.41) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL2839704 0.69 GID4 (0.34)
SCHEMBL2841800 0.65 HTR1A (0.31)
SCHEMBL3922304 0.64 MEN1 (0.56) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL31062493 0.64 MEN1 (0.56) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL2840034 0.63 SLC6A2 (0.39) CYP2D6
SCHEMBL21591682 0.63 MEN1 (0.35) MEN1CYP3A4CYP2D6KMT2A
Hydrochloric Acid SCHEMBL10957229 0.63 MEN1 (0.55) MEN1CYP3A4CYP2D6KMT2A
Hydrochloric Acid SCHEMBL29457654 0.63 MEN1 (0.55) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL2839565 0.61 PNMT (0.42) MEN1CYP3A4CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 MEN1 3895/4885CYP3A4 1391/4885CYP2D6 352/4885

“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.