SCHEMBL14814689

SCHEMBL14814689

CC(C)c1cnc(O[C@@H]2C[C@H]3CN(C(=O)Cc4cccc(C(F)(F)F)c4)CCN3C2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LIPE Q05469 6/20 0.41
▸ OPRK1 P41145 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR142 Q7Z601 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
SCHEMBL14815079 0.87 MEN1 (0.46) MEN1KMT2ALIPEOPRK1CNR1
SCHEMBL14814886 0.87 MEN1 (0.43) MEN1KMT2ALIPEOPRK1CNR1
SCHEMBL15462494 0.78 KDM4E (0.42) MEN1KMT2ACNR1LMNAHTT
SCHEMBL14816029 0.78 KDM4E (0.42) MEN1KMT2ACNR1LMNAHTT
SCHEMBL14815260 0.78 MEN1 (0.44) MEN1KMT2ALIPEOPRK1CNR1
SCHEMBL14814957 0.77 LIPE (0.45) LIPEOPRK1CNR1SCN9A
SCHEMBL15793813 0.77 KMT2A (0.43) MEN1KMT2ALIPEOPRK1CNR1
SCHEMBL15794322 0.77 KMT2A (0.43) MEN1KMT2ALIPEOPRK1CNR1
SCHEMBL15793641 0.77 KMT2A (0.43) MEN1KMT2ALIPEOPRK1CNR1
SCHEMBL15793928 0.77 KMT2A (0.43) MEN1KMT2ALIPEOPRK1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US claimed
US-8669255-B2 Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers ABBVIE INC. (US) 2014-03-11 — — US disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — WO disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 — — 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 (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 2999/4885LIPE 4720/4885

“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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