SCHEMBL7113809

SCHEMBL7113809

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(N(Cc3ccccc3)C(=O)CN3CCC(Nc4ccccc4Cl)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.50
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 2/20 0.40
HDAC1 Q13547 1/20 0.38
F10 P00742 2/20 0.37

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
SCHEMBL7113767 0.96 F2 (0.47) F2NTRK1NTRK2F10
SCHEMBL7119029 0.92 F2 (0.50) F2NTRK1
SCHEMBL7115891 0.92 F2 (0.46) F2NTRK1NTRK2HDAC1F10
SCHEMBL7115901 0.91 F2 (0.49) F2NTRK1NTRK2HDAC1
Hydrochloric Acid SCHEMBL7120836 0.91 F2 (0.49) F2NTRK1NTRK2HDAC1
SCHEMBL7120120 0.89 F2 (0.51) F2HDAC1F10
SCHEMBL7113068 0.89 F2 (0.52) F2F10
SCHEMBL7119853 0.88 F2 (0.47) F2HDAC1F10
SCHEMBL7113812 0.88 F2 (0.47) F2NTRK1
SCHEMBL7121053 0.88 F2 (0.51) F2F10

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US claimed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US claimed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 F2 764/4885NTRK1 2967/4885NTRK2 2267/4885

“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.