SCHEMBL17212367

SCHEMBL17212367

CC(C)n1cnc2cc(F)c(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
PRPS1 P60891 1/20 0.36
S1PR1 P21453 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2B P41595 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
GLP1R P43220 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
SCHEMBL14726018 0.86 HCAR3 (0.49) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL12747298 0.86 HCAR3 (0.49) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL17563260 0.78 HCAR3 (0.45) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL17214436 0.77 PRPS1 (0.43) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL24463361 0.77 HCAR3 (0.44) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL17694878 0.77 HCAR3 (0.44) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL19836276 0.74 HCAR3 (0.46) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7724928 0.73 POLB (0.56) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL7726920 0.72 HCAR3 (0.46) HCAR3RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL20665086 0.72 HCAR3 (0.58) HCAR3RAB9ANPC1KDM4ESMN1; SMN2

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-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA HCAR3 1848/4885RAB9A 1231/4885NPC1 2700/4885

“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.