SCHEMBL7395014

SCHEMBL7395014

[c]1nc2cccc3c2n1CCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
CES1 P23141 2/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14717084 0.89 MEN1 (0.35) NPC1MAPTRAB9ALMNAKMT2A
SCHEMBL7394760 0.68 HTR2A (0.35) MCL1HTR2CHTR2ALMNASMN1; SMN2
SCHEMBL405139 0.67 DRD2 (0.48) NPC1MAPTRAB9AMCL1HSD17B10
SCHEMBL15828534 0.67 NPC1 (0.37) NPC1MAPTRAB9AMCL1HSD17B10
SCHEMBL7394360 0.66 HTR2C (0.43) HTR2CHTR2A
SCHEMBL7424856 0.64 NPC1 (0.50) NPC1MAPTRAB9AMCL1HSD17B10
SCHEMBL5057519 0.64 NPC1 (0.50) NPC1MAPTRAB9AMCL1HSD17B10
SCHEMBL9078237 0.64 NPC1 (0.56) NPC1MAPTRAB9AMCL1HSD17B10
SCHEMBL10633577 0.64 NPC1 (0.50) NPC1MAPTRAB9AMCL1HSD17B10
SCHEMBL18628737 0.64 NPC1 (0.50) NPC1MAPTRAB9AMCL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7179466-A None JP disclosed
US-9550795-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2017-01-24 US disclosed
EP-2751116-B1 HEXAHYDROPYRANO [3,4-D][1,3]THIAZIN-2-AMINE COMPOUNDS PFIZER (US) 2016-10-12 EP disclosed
US-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds PFIZER INC. (US) 2015-03-26 US disclosed
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 US disclosed
US-5589476-A TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS SYNTHELABO (FR) 1996-12-31 US disclosed
JP-H07179466-A IMIDAZOL-4-YLPIPERIDINE DERIVATIVE, ITS PREPARATION, AND APPLICATION THEREOF IN MEDICINE SYNTHELABO SA 1995-07-18 JP disclosed
EP-0646583-A1 Derivatives of Imidezol-4-yl piperidine, their preparation and use in therapy SYNTHELABO (FR) 1995-04-05 EP 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-20150087637-A1 Hexahydropyrano[3,4-d][1,3]Thiazin-2-Amine Compounds DPYD, TPMT, QDPR NPC1 734/4885MAPT 1442/4885RAB9A 3254/4885

“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.