SCHEMBL338385

SCHEMBL338385

[CH2]Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
KCNH2 Q12809 1/20 0.45
TP53 P04637 1/20 0.45
BCHE P06276 12/20 0.45
ACHE P22303 12/20 0.45
APP P05067 1/20 0.42
RECQL P46063 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1611459 0.80 KCNH2 (0.52) TSHRLMNATYRKCNH2TP53
SCHEMBL128571 0.80 ESR1 (0.39) TSHRLMNATYRRECQL
SCHEMBL5075930 0.79 TSHR (0.48) TSHRLMNATYRKCNH2TP53
SCHEMBL7456580 0.78 KCNH2 (0.59) TSHRLMNATYRKCNH2TP53
SCHEMBL348623 0.78 TSHR (0.52) TSHRLMNATYRKCNH2TP53
SCHEMBL1773317 0.77 ESR1 (0.54) TSHR
SCHEMBL3240627 0.77 TAAR1 (0.33)
SCHEMBL4580070 0.77 SHBG (0.57) TSHRLMNAKCNH2TP53ACHE
SCHEMBL1611687 0.77 KCNH2 (0.58) TSHRLMNAKCNH2TP53NR1H4
SCHEMBL1803971 0.76 ESR1 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017199103-A1 BENZAMIDE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-11-23 WO claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
EP-2567940-A1 Method for preparing clays having novel physical-chemical properties Ecole De Biologie Industrielle (EBI) (FR) 2013-03-13 EP claimed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US claimed
CN-102584829-A Pyrazole and pyrazine diketone derivative and application thereof UNIV SHANDONG 2012-07-18 CN claimed
US-6464902-B1 CONDENSATION OF AT LEAST TWO PERYLENE MONOIMIDE-MONOANHYDRIDES WITH 1,3-PROPANEDIAMINE FORM THE IMIDES; PHOTOCONDUCTIVE IMAGING MEMBERS WITH THE MIXED PERYLENE DIMER PIGMENTS; ENVIRONMENTALLY ACCEPTABLE MIXTURES XEROX CORPORATION 2002-10-15 US claimed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US claimed
EP-0861878-B1 Unsymmetrical perylene dimers XEROX CORP (US) 2001-10-24 EP claimed
US-6287738-B1 CONTAINING PERYLENEBISIMIDE XEROX CORPORATION 2001-09-11 US claimed
EP-0861878-A1 Unsymmetrical perylene dimers XEROX CORPORATION (US) 1998-09-02 EP claimed
EP-0826740-A1 Symmetrical perylene dimers XEROX CORPORATION (US) 1998-03-04 EP claimed
US-5683842-A CHARGE GENERATORS FOR IMAGES XEROX CORPORATION (US) 1997-11-04 US claimed
US-5645965-A XEROGRAPHY, CHARGE GENERATING COMPOUNDS XEROX CORPORATION (US) 1997-07-08 US claimed
US-4472412-A Control of fungi using phenylpropylammonium salts BASF AKTIENGESELLSCHAFT (DE) 1984-09-18 US claimed
US-4469881-A [2-(p-t-Butylphenyl)ethyl]silanes and method of making the same PETRARCH SYSTEMS INC. (US) 1984-09-04 US claimed

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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 TSHR 3998/4885LMNA 2949/4885TYR 4532/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC TSHR 1108/4885LMNA 1955/4885TYR 16/4885

“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.