SCHEMBL716077

SCHEMBL716077

CC(C)(C)c1ccc(CCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.61
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAOB P27338 1/20 0.53
KCNH2 Q12809 1/20 0.52
HTR2A P28223 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ESRRG P62508 1/20 0.49
HTR1D P28221 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
Hydrochloric Acid SCHEMBL14157254 0.98 TAAR1 (0.59) TAAR1CYP2A6CYP1A2MAOBKCNH2
SCHEMBL15125588 0.94 MAOB (0.63) TAAR1CYP2A6CYP1A2MAOBKCNH2
SCHEMBL2879490 0.86 KCNH2 (0.58) TAAR1KCNH2HTR2AESRRGSIGMAR1
SCHEMBL7456580 0.85 KCNH2 (0.59) KCNH2ESRRGSIGMAR1
SCHEMBL20748225 0.85 KCNH2 (0.61) TAAR1KCNH2HTR2AESRRGSIGMAR1
SCHEMBL27262014 0.84 KCNH2 (0.50) TAAR1KCNH2ESRRGLOXL2SIGMAR1
SCHEMBL7875335 0.84 TAAR1 (0.65) TAAR1CYP2A6CYP1A2MAOBHTR2A
SCHEMBL10666169 0.83 KCNH2 (0.59) TAAR1KCNH2HTR2AESRRGSIGMAR1
SCHEMBL7684129 0.82 TAAR1 (0.58) TAAR1CYP2A6CYP1A2MAOBHTR2A
SCHEMBL31573982 0.80 KCNH2 (0.67) KCNH2ESRRGSIGMAR1

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114420852-A Preparation method of pure-phase RP perovskite film 河北工业大学 2022-04-29 CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MONASH UNIVERSITY (AU) 2023-10-05 US disclosed
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE 2022-10-20 US disclosed
CN-114420852-A Preparation method of pure-phase RP perovskite film 河北工业大学 2022-04-29 CN disclosed
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-6015925-A TREATING MYCOSIS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-01-18 US disclosed
US-5350749-A Fungicides, insecticides and miticides DOWELANCO (US) 1994-09-27 US disclosed
EP-0593438-A1 FUNGICIDAL COMPOSITIONS, FUNGICIDAL COMPOUNDS, THEIR PRODUCTION AND USE DOWELANCO (US) 1994-04-27 EP disclosed
US-5292743-A Substituted guanidines; low phytotoxicity; agricultural use DOWELANCO (US) 1994-03-08 US disclosed
US-5240916-A Fungicides DOWELANCO (US) 1993-08-31 US disclosed
US-5034393-A Fungicides for plants DOWELANCO (US) 1991-07-23 US disclosed
WO-1991005473-A1 FUNGICIDAL COMPOSITIONS, FUNGICIDAL COMPOUNDS, THEIR PRODUCTION AND USE DOW CHEMICAL COMPANY LIMITED (GB) 1991-05-02 WO disclosed
EP-0410762-A1 Naphthyridine derivatives DowElanco (US) 1991-01-30 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 (2 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-20230312577-A1 DUAL KINASE-BROMODOMAIN INHIBITORS MAP2K2, BRPF3, BRDT TAAR1 4392/4885CYP2A6 4761/4885CYP1A2 4767/4885
US-20220332695-A1 UREA DERIVATIVES AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR119 TAAR1 28/4885CYP2A6 332/4885CYP1A2 517/4885

“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.