SCHEMBL14815233

SCHEMBL14815233

O=C(Cc1ccc(F)cc1)N1CC[C@@H]2CC[C@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CCR3 P51677 1/20 0.35
▸ MLNR O43193 2/20 0.35
▸ ME2 P23368 1/20 0.34
▸ ME1 P48163 1/20 0.34
▸ ME3 Q16798 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ LIPE Q05469 2/20 0.34
▸ MC4R P32245 1/20 0.34

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
SCHEMBL14815461 0.90 LIPE (0.41) CNR1MLNRME2ME1ME3
SCHEMBL14815474 0.88 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPK1POLBMAPT
SCHEMBL14815272 0.88 CCR3 (0.40) CCR3PANK3KMT2A
SCHEMBL14814935 0.87 NTRK1 (0.34) CNR1POLBPANK3LIPE
SCHEMBL14815376 0.86 LIPE (0.38) PKMCNR1CCR3LIPEMEN1
SCHEMBL14814936 0.82 LIPE (0.39) POLBLIPE
SCHEMBL14815136 0.81 LIPE (0.42) PKMALDH1A1LMNAPOLBLIPE
SCHEMBL14815149 0.81 GPR119 (0.32) —
SCHEMBL14815176 0.80 P2RX7 (0.39) LIPE
SCHEMBL14815341 0.79 HRH3 (0.43) SMN1; SMN2ALDH1A1POLBMAPTMEN1

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 PKM 2751/4885CNR1 324/4885SMN1; SMN2 3245/4885

“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.

Send feedback