SCHEMBL15712296

SCHEMBL15712296

CC(C)Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.54
HTR2C P28335 5/20 0.46
HTR2A P28223 4/20 0.46
CDC7 O00311 1/20 0.43
CYP1A2 P05177 1/20 0.42
AR P10275 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
Fumaric Acid SCHEMBL28930385 0.89 HTR7 (0.46) HTR7HTR2CHTR2ACDC7AR
Ammonia Solution, Strong SCHEMBL29039430 0.87 HTR2C (0.48) HTR7HTR2CHTR2AMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27732810 0.85 HTR7 (0.57) HTR7HTR2CHTR2ACDC7CYP1A2
SCHEMBL3312100 0.83 HTR7 (0.57) HTR7CDC7CYP1A2ARMEN1
Ammonia Solution, Strong SCHEMBL27987854 0.82 HTR7 (0.55) HTR7HTR2CHTR2ACDC7CYP1A2
SCHEMBL15712293 0.81 HTR7 (0.62) HTR7CDC7CYP1A2ARMEN1
SCHEMBL27732789 0.80 HTR7 (0.54) HTR7CDC7CYP1A2ARMEN1
SCHEMBL17023236 0.78 HTR7 (0.59) HTR7CDC7CYP1A2ARMAPT
SCHEMBL13139566 0.78 HTR7 (0.53) HTR7CDC7CYP1A2ARMEN1
SCHEMBL28530268 0.78 HTR7 (0.52) HTR7CDC7CYP1A2ARMEN1

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
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
CN-104870422-A Novel amine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2015-08-26 CN 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 3641/4885HTR2C 3391/4885HTR2A 4344/4885

“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.