SCHEMBL856300

SCHEMBL856300

CCCCN1CCCC1CN

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR5 Q9H228 3/20 0.49
S1PR4 O95977 1/20 0.49
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
OPRD1 P41143 1/20 0.43
GBA2 Q9HCG7 2/20 0.38
NR1I2 O75469 1/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL7277972 1.00 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7278231 1.00 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL1906108 0.94 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL28211526 0.94 S1PR1 (0.49) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7269957 0.93 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL7269965 0.93 S1PR1 (0.57) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL9155196 0.88 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL4375455 0.88 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL14509645 0.84 ADRA1D (0.37) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL12643455 0.84 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US claimed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
EP-1454617-B1 HAIR BLEACH AND DYE COMPOSITIONS KAO CORP (JP) 2010-05-05 EP disclosed
EP-1454617-B1 HAIR BLEACH AND DYE COMPOSITIONS KAO CORP (JP) 2010-05-05 EP disclosed
CN-100493488-C Hair dye composition KAO CORP (JP) 2009-06-03 CN disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
CN-1691933-A Hair dye composition KAO CORP (JP) 2005-11-02 CN disclosed
US-20050102770-A1 Hair dye composition KAO CORPORATION (JP) 2005-05-19 US disclosed
EP-1454617-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2004-09-08 EP disclosed
EP-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP disclosed
EP-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
US-5498628-A ANTIPSYCHOTIC, PSYCHOSTIMULATORY, ANTIAUTISTIC, ANTIDEPRESSANT AND HYPOTENSIVE AGENTS, PARKINSON'S DISEASE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-03-12 US disclosed
EP-0539281-A1 New naphthamides, process for their preparation and their application in the therapeutical field INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-28 EP disclosed
US-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed
EP-0124783-B1 BENZOFURAN- AND BENZOPYRAN-CARBOXAMIDE DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-12-09 EP disclosed
US-4617314-A Benzofuran- and benzopyran-carboxamide derivatives YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1986-10-14 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-20050102770-A1 Hair dye composition DOHH, HADH, FAR1 S1PR1 939/4885S1PR3 1234/4885S1PR5 1181/4885

“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.