SCHEMBL19164342

SCHEMBL19164342

CC(C)(C)NC(=O)NCCCNC(=O)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
KDM4C Q9H3R0 1/20 0.52
EPHX1 P07099 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CACNA1H O95180 4/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PRMT1 Q99873 1/20 0.38
BRD4 O60885 1/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19171376 0.95 EPHX1 (0.57) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL19171900 0.93 EPHX1 (0.60) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL19171947 0.93 EPHX1 (0.60) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL21675922 0.91 NPC1 (0.47) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL19171880 0.91 EPHX1 (0.53) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL19171338 0.90 NPC1 (0.57) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL9660162 0.89 EPHX1 (0.61) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL3514860 0.89 NPC1 (0.49) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL3514857 0.89 NPC1 (0.49) NPC1RAB9AMAPTKDM4CEPHX1
SCHEMBL20017302 0.87 NPC1 (0.55) NPC1RAB9AMAPTKDM4CEPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 NPC1 297/4885RAB9A 1688/4885MAPT 4209/4885

“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.