SCHEMBL14112128

SCHEMBL14112128

O=C(NCc1ccc(Cl)cc1Cl)N1CCC(N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 18/20 0.60
▸ CYP2C9 P11712 4/20 0.59
▸ CYP2J2 P51589 4/20 0.59
▸ MAPK8 P45983 1/20 0.56
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL14112121 0.90 MAPK8 (0.50) EPHX2CYP2C9CYP2J2MAPK8
SCHEMBL14112119 0.86 NPC1 (0.55) MAPK8
SCHEMBL14112120 0.82 HRH3 (0.59) —
SCHEMBL14112142 0.82 CYP2C9 (0.48) EPHX2CYP2C9CYP2J2MAPK8
SCHEMBL13873854 0.80 EPHX2 (0.67) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14112130 0.79 GRIN2B (0.65) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14112580 0.79 POLB (0.54) —
SCHEMBL13873821 0.78 EPHX2 (0.58) EPHX2CYP2C9CYP2J2CYP2C19
SCHEMBL14112140 0.78 ALDH1A1 (0.58) —
SCHEMBL4071469 0.78 TUBB4A (0.53) EPHX2CYP2C9CYP2C19

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-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 — — 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 EPHX2 2659/4885CYP2C9 1750/4885CYP2J2 337/4885

“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