SCHEMBL14815225

SCHEMBL14815225

O=C(c1cccc(C(F)(F)F)c1)N1CC[C@H]2CC[C@@H](Oc3cnc(C4CC4)cn3)N2C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.44
▸ HSD11B1 P28845 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MGLL Q99685 3/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ CCR2 P41597 4/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ CACNA1B Q00975 3/20 0.40
▸ FAAH O00519 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ CSF1R P07333 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ DDR1 Q08345 1/20 0.37

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 1.00 RBP4 (0.44) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815458 0.90 GAA (0.41) HSD11B1HPGDMGLLKCNH2
SCHEMBL14815342 0.89 KDM4E (0.38) LMNAMGLL
SCHEMBL14815202 0.88 JAK2 (0.36) HSD11B1
SCHEMBL14815303 0.87 RBP4 (0.43) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815419 0.86 CCR2 (0.37) CCR2KCNH2CACNA1B
SCHEMBL14815222 0.86 P2RX7 (0.39) RBP4HSD11B1MGLL
SCHEMBL14814850 0.85 PDE2A (0.39) LMNAHPGDMGLL
SCHEMBL14814764 0.85 MGLL (0.51) RBP4HSD11B1LMNAPOLBHPGD
SCHEMBL14815517 0.85 MGLL (0.51) 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.

Send feedback