SCHEMBL17160763

SCHEMBL17160763

Clc1ccc2c(c1)NCC21Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.40
AHR P35869 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
AVPR1A P37288 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
OTUD7B Q6GQQ9 1/20 0.36
HTR5A P47898 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
NOX1 Q9Y5S8 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
PDE7A Q13946 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
SCHEMBL15812201 0.81 TNKS (0.49) CMA1AHRTNKSTNKS2AVPR1A
SCHEMBL15812245 0.78 TNKS (0.50) CMA1AHRTNKSTNKS2AVPR1A
SCHEMBL15811993 0.78 TNKS (0.50) CMA1AHRTNKSTNKS2AVPR1A
SCHEMBL15812337 0.77 TRPA1 (0.37) OTUD7B
SCHEMBL214425 0.75 TNKS (0.46) CMA1AHRTNKSTNKS2AVPR1A
SCHEMBL11090651 0.75 TNKS (0.51) CMA1AHRTNKSTNKS2AVPR1A
SCHEMBL19032326 0.71 BRD4 (0.31) OTUD7B
SCHEMBL15811809 0.70 HTR2A (0.49) CMA1AHRTNKSTNKS2HTR3E
Hydrochloric Acid SCHEMBL13735231 0.68 NOTUM (0.43) CMA1AHRTNKSTNKS2AVPR1A
SCHEMBL15812072 0.68 AVPR1A (0.53) CMA1AHRTNKSTNKS2AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
US-9676768-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2017-06-13 US disclosed
US-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2015-10-15 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 (2 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-20150291586-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 CMA1 3860/4885AHR 281/4885TNKS 1158/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 CMA1 3860/4885AHR 281/4885TNKS 1158/4885

“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.