SCHEMBL19110595

SCHEMBL19110595

Cc1nn(C(C)c2ccc(F)cc2)c2c1CCNC2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.47
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ KCNK3 O14649 6/20 0.42

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
SCHEMBL17317895 0.84 SIGMAR1 (0.45) SIGMAR1HTR2AHTR2CHTR7HTR2B
Hydrochloric Acid SCHEMBL17317914 0.83 SIGMAR1 (0.44) SIGMAR1HTR2AHTR2CHTR7HTR2B
SCHEMBL14784245 0.78 KCNK3 (0.58) KCNK3
SCHEMBL19110586 0.73 SLC2A1 (0.48) SIGMAR1HTR7
SCHEMBL10799585 0.72 KCNK3 (0.53) KCNK3
SCHEMBL19110582 0.68 KCNK3 (0.50) KCNK3
SCHEMBL16088518 0.66 SOD3 (0.36) HTR2AHTR2C
SCHEMBL16118495 0.65 HTR2A (0.38) HTR2AHTR2CHTR7HTR2B
SCHEMBL19110601 0.65 ALDH1A1 (0.42) HTR2AHTR2CHTR7HTR2B
SCHEMBL16089630 0.65 — —

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-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 SIGMAR1 2505/4885HTR2A 168/4885HTR2C 1020/4885

“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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