SCHEMBL14112447

SCHEMBL14112447

CC1CCCN(C2CCN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C2)C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
AGTR1 P30556 1/20 0.50
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CCR3 P51677 7/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ADRA1A P35348 2/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14112498 0.90 KMT2A (0.53) POLBALDH1A1LMNAAGTR1THRA
SCHEMBL14112396 0.90 CYP3A4 (0.50) POLBCCR3
SCHEMBL14112491 0.89 CCR3 (0.46) POLBALDH1A1RAB9ANPC1CCR3
SCHEMBL14112482 0.89 THRA (0.51) POLBALDH1A1LMNAAGTR1CCR3
SCHEMBL14112477 0.89 CYP3A4 (0.52) POLBCCR3
SCHEMBL14112492 0.88 CCR3 (0.46) POLBALDH1A1RAB9ANPC1CCR3
SCHEMBL14112502 0.88 POLB (0.49) POLBALDH1A1CCR3
SCHEMBL14112508 0.87 CCR3 (0.51) POLBCCR3
SCHEMBL14112509 0.87 KMT2A (0.52) POLBRAB9ANPC1CCR3KMT2A
SCHEMBL14112511 0.87 CCR3 (0.49) POLBALDH1A1CCR3

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 POLB 1231/4885ALDH1A1 433/4885LMNA 2313/4885

“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.