SCHEMBL14112127

SCHEMBL14112127

O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCC(c3ccccc3)CC2)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.80
▸ TP53 P04637 6/20 0.80
▸ LMNA P02545 4/20 0.80
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ NFKB2 Q00653 2/20 0.60
▸ RELA Q04206 2/20 0.60
▸ HTT P42858 2/20 0.57
▸ IDO1 P14902 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ STAT1 P42224 1/20 0.52
▸ MEN1 O00255 2/20 0.50

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
SCHEMBL14112134 0.87 MAPT (0.63) MAPTTP53LMNANPC1RAB9A
SCHEMBL14112125 0.86 NPC1 (0.76) MAPTTP53LMNANPC1RAB9A
SCHEMBL1944686 0.82 CYP3A4 (0.71) MAPTTP53LMNACYP3A4CYP2D6
SCHEMBL1575686 0.81 NPC1 (0.74) MAPTTP53LMNANPC1RAB9A
SCHEMBL14112135 0.81 NPC1 (0.57) MAPTTP53LMNANPC1RAB9A
SCHEMBL1575513 0.81 GRIN2B (0.69) MAPTTP53LMNANPC1RAB9A
SCHEMBL1574319 0.80 NPC1 (0.59) MAPTTP53LMNANPC1RAB9A
SCHEMBL1574579 0.79 NPC1 (0.55) MAPTTP53LMNANPC1RAB9A
SCHEMBL1574804 0.79 NPC1 (0.71) MAPTTP53LMNANPC1RAB9A
SCHEMBL1575394 0.78 MAPT (0.76) MAPTTP53LMNACYP3A4NPC1

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 MAPT 4609/4885TP53 1139/4885LMNA 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.

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