SCHEMBL6071827

SCHEMBL6071827

Clc1ccccc1[CH]CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2A13 Q16696 4/20 0.54
▸ CNR1 P21554 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NFE2L2 Q16236 2/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ MGLL Q99685 2/20 0.41

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
SCHEMBL6071544 0.84 TSHR (0.46) CYP2C19ALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL8636775 0.84 CNR1 (0.55) CYP2A13CNR1CYP3A4CYP2C19ALDH1A1
SCHEMBL2189009 0.75 HSP90AA1 (0.48) CYP2A13CNR1ALDH1A1KDM4ETSHR
SCHEMBL4631793 0.74 KDM4E (0.54) CYP3A4CYP2C19ALDH1A1KDM4ETSHR
SCHEMBL27903062 0.72 ALDH1A1 (0.46) CYP2A13CYP2C19ALDH1A1KDM4ETSHR
SCHEMBL3311657 0.70 CYP2A13 (1.00) CYP2A13ALDH1A1KDM4EMGLL
SCHEMBL4097834 0.68 CYP2A13 (1.00) CYP2A13ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4105446 0.68 KCNH2 (0.74) CYP2A13CNR1MGLL
SCHEMBL4703881 0.68 CYP2A13 (0.51) CYP2A13CNR1ALDH1A1KDM4ETSHR
SCHEMBL4960631 0.67 CYP19A1 (0.42) CYP3A4CYP2C19ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 — — 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 CYP2A13 3079/4885CNR1 181/4885CYP3A4 3742/4885

“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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