SCHEMBL10100708

SCHEMBL10100708

COc1ccccc1-c1cnc(N)c(-c2nnnn2-c2ccc(OCCN3CCCCC3)c(C)c2F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 7/20 0.41
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR2C P28335 8/20 0.39
HTR2A P28223 4/20 0.39
HTR2B P41595 4/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10100411 0.95 KCNN4 (0.41) KCNN4KCNH2HRH3HTR2CHTR2A
SCHEMBL10100755 0.93 HTR2C (0.40) KCNN4HTR2CHTR2BABCB1ABCG2
SCHEMBL10100769 0.89 MCHR1 (0.39) KCNN4HTR2CHTR2AHTR2BMCHR1
SCHEMBL10100767 0.89 MCHR1 (0.40) HTR2CHTR2AHTR2BMCHR1
SCHEMBL10100768 0.88 ADORA2A (0.38) KCNN4HTR2CHTR2AHTR2BMCHR1
SCHEMBL10100720 0.88 MCHR1 (0.40) HTR2CMCHR1SMN1; SMN2
SCHEMBL10100709 0.88 SMN1; SMN2 (0.38) KCNN4HTR2CHTR2AHTR2BKDM4E
SCHEMBL10100565 0.87 HTR2C (0.41) KCNN4HTR2CHTR2BABCB1ABCG2
SCHEMBL10100712 0.87 SMN1; SMN2 (0.43) HTR2CHTR2AHTR2BMCHR1KDM4E
SCHEMBL10100711 0.87 BMPR1B (0.37) HRH3HTR2CHTR2AHTR2BMCHR1

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-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 KCNN4 4066/4885KCNH2 3514/4885HRH3 3184/4885

“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.