SCHEMBL14815260

SCHEMBL14815260

CC(C)c1cnc(O[C@H]2CC[C@H]3CCN(C(=O)Cc4cccc(C(F)(F)F)c4)CN32)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMYD3 Q9H7B4 1/20 0.40
▸ LIPE Q05469 6/20 0.40
▸ SYK P43405 4/20 0.39
▸ OPRK1 P41145 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR142 Q7Z601 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL14814689 0.78 MEN1 (0.44) MEN1KMT2ASMYD3LIPESYK
SCHEMBL14815461 0.77 LIPE (0.41) LIPECNR1
SCHEMBL14815376 0.76 LIPE (0.38) MEN1KMT2ALIPESYKCNR1
SCHEMBL14814700 0.76 KDM4E (0.44) SYKCYP2D6CYP2C19NPSR1
SCHEMBL14815261 0.74 LIPE (0.34) SMYD3LIPE
SCHEMBL14814935 0.74 NTRK1 (0.34) LIPESYKCNR1
SCHEMBL14815136 0.74 LIPE (0.42) LIPE
SCHEMBL14815371 0.73 RBP4 (0.44) SYK
SCHEMBL14815225 0.73 RBP4 (0.44) SYK
SCHEMBL14815419 0.73 CCR2 (0.37) LIPE

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — US claimed

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-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D MEN1 1008/4885KMT2A 2999/4885SMYD3 1460/4885

“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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