SCHEMBL17176355

SCHEMBL17176355

CC(=O)c1cn(CCF)c2ccc(F)cc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
CREBBP Q92793 2/20 0.49
KCNH2 Q12809 1/20 0.48
HTR3A P46098 7/20 0.47
ICMT O60725 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NR2F2 P24468 1/20 0.45
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17176358 0.84 HTR3A (0.60) POLBCNR1CNR2KCNH2HTR3A
SCHEMBL30564140 0.84 SMN1; SMN2 (0.56) POLBCNR1CNR2CREBBPHTR3A
SCHEMBL17176243 0.83 HTR3A (0.58) POLBCNR1CNR2CREBBPKCNH2
SCHEMBL20379523 0.82 SCN9A (0.46) POLBCNR1CNR2HTR3AICMT
SCHEMBL7275971 0.81 KDM4E (0.55) POLBKCNH2NPC1RAB9AKMT2A
SCHEMBL17176319 0.81 HTR3A (0.58) POLBCNR1CNR2CREBBPHTR3A
SCHEMBL17176279 0.80 CREBBP (0.73) POLBCREBBPHTR3ANPC1RAB9A
SCHEMBL4494230 0.76 CNR2 (0.61) CNR1CNR2HTR3AICMT
SCHEMBL2817707 0.75 ALDH1A1 (0.50) CNR1CNR2HTR3AKMT2A
SCHEMBL24182183 0.75 CNR2 (0.47) POLBCNR1CNR2KCNH2HTR3A

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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B POLB 3362/4885CNR1 37/4885CNR2 47/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B POLB 3362/4885CNR1 37/4885CNR2 47/4885

“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.