SCHEMBL19012449

SCHEMBL19012449

CC(C)(C)N1CCN(C(=O)CC2CCOCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.42
▸ CNR2 P34972 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ AOC3 Q16853 1/20 0.37
▸ GRM5 P41594 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ TPSD1 Q9BZJ3 1/20 0.35
▸ TPSG1 Q9NRR2 1/20 0.35
▸ ADAM10 O14672 1/20 0.34

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
SCHEMBL20965483 0.89 NAMPT (0.51) NAMPTCNR2HSD17B10KDM4ETPSAB1
SCHEMBL25143802 0.87 NAMPT (0.46) NAMPTCNR2HSD17B10KDM4ETPSAB1
SCHEMBL19001139 0.84 CNR2 (0.49) NAMPTCNR2HSD17B10KDM4ETPSAB1
SCHEMBL13779970 0.82 NAMPT (0.45) NAMPTALOX15TSHRHSD17B10AOC3
SCHEMBL12522667 0.80 NAMPT (0.45) NAMPTCNR2ALOX15TSHRHSD17B10
SCHEMBL17546316 0.79 ALDH1A1 (0.53) NAMPTALOX15TSHRHSD17B10HPGD
SCHEMBL10205145 0.79 CNR2 (0.47) NAMPTCNR2HSD17B10CNR1KDM4E
SCHEMBL18082852 0.78 NAMPT (0.44) NAMPTCNR2ALOX15TSHRHSD17B10
SCHEMBL18704939 0.78 HRH3 (0.47) NAMPTTLR9TLR8TLR7
SCHEMBL24308808 0.78 NAMPT (0.42) NAMPTCNR2ALOX15TSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 — — US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH NAMPT 999/4885CNR2 879/4885ALOX15 4516/4885

“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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