SCHEMBL3144002

SCHEMBL3144002

[c]1cccc2c1ccn2CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.36
▸ GRM2 Q14416 12/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34
▸ TUBA1A Q71U36 1/20 0.34
▸ TUBA1C Q9BQE3 1/20 0.34
▸ TUBB6 Q9BUF5 1/20 0.34
▸ TUBB2B Q9BVA1 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.34
▸ GRIN2B Q13224 1/20 0.33

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
SCHEMBL408279 0.76 GRM2 (0.33) HTR6GRM2
SCHEMBL3483307 0.75 LMNA (0.33) —
SCHEMBL20532528 0.73 CDK4 (0.61) HTR6
SCHEMBL29942246 0.73 CDK4 (0.61) HTR6
SCHEMBL3483158 0.72 CDK4 (0.37) GRM2
SCHEMBL1449745 0.72 CDK4 (0.37) HTR6
SCHEMBL6696299 0.71 HTR6 (0.45) HTR6
SCHEMBL7132590 0.71 MEN1 (0.42) —
SCHEMBL20836273 0.70 OPRM1 (0.36) —
SCHEMBL3483121 0.70 KMT2A (0.56) —

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-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 — — US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 — — EP 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 HTR6 1162/4885GRM2 1815/4885TUBB4A 3031/4885

“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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