SCHEMBL14112477

SCHEMBL14112477

O=C(NCC(=O)N1CCC(N2CCCCC2)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
LRRK2 Q5S007 1/20 0.49
L3MBTL3 Q96JM7 6/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
USP5 P45974 1/20 0.46
MBTD1 Q05BQ5 3/20 0.45
CCR3 P51677 2/20 0.45
CXCR3 P49682 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL14112396 0.99 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C19LRRK2L3MBTL3
SCHEMBL14112401 0.90 OPRK1 (0.47) CYP3A4CYP2D6CYP2C19SMN1; SMN2POLB
SCHEMBL14112491 0.90 CCR3 (0.46) CYP3A4CYP2D6CYP2C19L3MBTL3L3MBTL1
SCHEMBL14112482 0.89 THRA (0.51) POLBCCR3CXCR3
SCHEMBL14112246 0.89 POLB (0.45) CYP3A4CYP2D6CYP2C19SMN1; SMN2POLB
SCHEMBL14112400 0.89 USP5 (0.49) L3MBTL3L3MBTL1POLBUSP5CCR3
SCHEMBL14112399 0.89 USP5 (0.49) L3MBTL3L3MBTL1POLBUSP5CXCR3
SCHEMBL14112492 0.89 CCR3 (0.46) CYP3A4CYP2D6CYP2C19POLBCCR3
SCHEMBL14112447 0.89 POLB (0.56) POLBCCR3
SCHEMBL14112404 0.89 CCR3 (0.46) POLBCCR3CXCR3

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 CYP3A4 916/4885CYP2D6 519/4885CYP2C19 933/4885

“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.