SCHEMBL19698611

SCHEMBL19698611

Cc1cc(Br)cnc1N1CC2(COC2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CNR2 P34972 4/20 0.35
▸ MBOAT4 Q96T53 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ MAP3K12 Q12852 1/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32

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
SCHEMBL26499808 0.82 CHRM4 (0.43) CHRM4CYP1A2CNR2MBOAT4LRRK2
SCHEMBL20354254 0.82 CHRM4 (0.36) CHRM4CYP1A2CNR2LRRK2SYK
SCHEMBL26040948 0.78 OPRK1 (0.36) MBOAT4L3MBTL1
SCHEMBL17478633 0.77 OPRK1 (0.50) —
SCHEMBL1707795 0.76 ALDH1A1 (0.44) CYP1A2LRRK2
SCHEMBL24240543 0.76 OPRK1 (0.33) L3MBTL1
SCHEMBL30867832 0.74 CHRM4 (0.40) CHRM4CYP1A2CNR2MBOAT4LRRK2
SCHEMBL25931749 0.73 OPRK1 (0.42) MAP3K12
SCHEMBL31727812 0.73 CNR2 (0.34) CHRM4CYP1A2CNR2LRRK2
SCHEMBL25925716 0.72 PIK3CA (0.42) LRRK2MAP3K12

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-20170355718-A1 Novel 5,6-Dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives PULMOCIDE LIMITED (GB) 2017-12-14 — — 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-20170355718-A1 Novel 5,6-Dihydro-4H-benzo[b]thieno-[2,3-d]azepine derivatives DDX5, ZC3HAV1, MAVS CHRM4 3626/4885CYP1A2 1160/4885CNR2 3921/4885

“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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