SCHEMBL14815303

SCHEMBL14815303

O=C1CC2CCN(C(=O)c3cccc(C(F)(F)F)c3)CN2C1Oc1cnc(C2CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.43
▸ HSD11B1 P28845 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MGLL Q99685 4/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ FAAH O00519 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ CCR2 P41597 3/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ SYK P43405 1/20 0.37
▸ CACNA1B Q00975 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CSF1R P07333 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ DDR1 Q08345 1/20 0.36

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
SCHEMBL14815371 0.87 RBP4 (0.44) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815225 0.87 RBP4 (0.44) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815199 0.80 HSD11B1 (0.39) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815269 0.78 ABL1 (0.41) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815262 0.77 ABL1 (0.42) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14833209 0.77 ABL1 (0.42) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14833210 0.77 ABL1 (0.42) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815204 0.77 ABL1 (0.42) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815458 0.76 GAA (0.41) HSD11B1HPGDMGLLKCNH2
SCHEMBL15794040 0.76 LMNA (0.41) RBP4HSD11B1LMNAPOLBHPGD

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 RBP4 3407/4885HSD11B1 2566/4885LMNA 2451/4885

“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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