SCHEMBL15712293

SCHEMBL15712293

CCCn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.62
CYP1A2 P05177 1/20 0.47
CDC7 O00311 1/20 0.44
MAPT P10636 4/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
AR P10275 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.40
CFTR P13569 1/20 0.39

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
SCHEMBL17023236 0.91 HTR7 (0.59) HTR7CYP1A2CDC7MAPTMTNR1A
SCHEMBL3355607 0.88 HTR7 (0.49) HTR7CYP1A2MAPTMTNR1AMTNR1B
SCHEMBL3312100 0.88 HTR7 (0.57) HTR7CYP1A2CDC7MAPTMTNR1A
SCHEMBL1122380 0.85 HTR7 (0.58) HTR7CYP1A2CDC7MAPTMTNR1A
Dimethylamine SCHEMBL18941266 0.84 HTR7 (0.46) HTR7CYP1A2MAPTMTNR1AMTNR1B
SCHEMBL1122371 0.84 HTR7 (0.58) HTR7MAPT
SCHEMBL3352870 0.84 HTR7 (0.58) HTR7CYP1A2CDC7MAPTMTNR1A
Ammonia Solution, Strong SCHEMBL27712673 0.84 HTR7 (0.55) HTR7CYP1A2CDC7MAPTMTNR1A
Ammonia Solution, Strong SCHEMBL27732810 0.83 HTR7 (0.57) HTR7CYP1A2CDC7MAPTAR
SCHEMBL1121943 0.83 HTR7 (0.54) HTR7CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
CN-104870422-B Amine derivative or its salt 富士胶片富山化学株式会社 2019-03-15 CN disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
EP-2915804-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF Toyama Chemical Co., Ltd. (JP) 2015-09-09 EP disclosed
WO-2014069510-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2014-05-08 WO 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-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 HTR7 3641/4885CYP1A2 3597/4885CDC7 497/4885

“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.