SCHEMBL14815204

SCHEMBL14815204

O=C(c1cccc(C(F)(F)F)c1)N1CCN2C[C@@H](Oc3cnc(C4CC4)cn3)C[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ RBP4 P02753 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CCR2 P41597 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ HSD11B1 P28845 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ GFER P55789 1/20 0.40

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
SCHEMBL14833209 1.00 ABL1 (0.42) ABL1BCRRBP4HPGDLMNA
SCHEMBL14815262 1.00 ABL1 (0.42) ABL1BCRRBP4HPGDLMNA
SCHEMBL14833210 1.00 ABL1 (0.42) ABL1BCRRBP4HPGDLMNA
SCHEMBL15793881 0.95 LMNA (0.45) ABL1BCRRBP4HPGDLMNA
SCHEMBL15794025 0.95 LMNA (0.45) ABL1BCRRBP4HPGDLMNA
SCHEMBL15793953 0.95 LMNA (0.45) ABL1BCRRBP4HPGDLMNA
SCHEMBL15793984 0.95 LMNA (0.45) ABL1BCRRBP4HPGDLMNA
SCHEMBL14814622 0.91 MGLL (0.38) ABL1BCRLMNACCR2KCNH2
SCHEMBL14815151 0.90 SCN9A (0.43) HPGDLMNAKCNH2SCN9AKMT2A
SCHEMBL15793732 0.89 LMNA (0.41) ABL1BCRRBP4HPGDLMNA

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-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
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 ABL1 4164/4885BCR 2060/4885RBP4 3407/4885

“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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