SCHEMBL13104071

SCHEMBL13104071

CCC(C)Cc1ccc(CNC)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NCF1 P14598 1/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ SLC18A2 Q05940 1/20 0.36

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
SCHEMBL13543996 0.81 LOXL2 (0.47) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL11304060 0.80 LOXL2 (0.50) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL16205279 0.79 TSHR (0.40) CYP3A4SIGMAR1SLC6A4TAAR1SLC18A2
SCHEMBL15160673 0.79 TSHR (0.40) CYP3A4SIGMAR1SLC6A4TAAR1SLC18A2
SCHEMBL15161169 0.78 TP53 (0.42) TAAR1
SCHEMBL2504209 0.76 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL28734578 0.76 SLC6A4 (0.39) SLC6A4TAAR1
SCHEMBL5838111 0.76 IDO1 (0.42) TAAR1
SCHEMBL6547498 0.75 SIGMAR1 (0.50) SIGMAR1SLC6A4TAAR1SLC18A2
SCHEMBL25146600 0.75 LOXL2 (0.45) LOXL2KDM4ECYP3A4MAPTNCF1

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-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — 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-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LOXL2 3968/4885KDM4E 1618/4885CYP3A4 537/4885

“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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