SCHEMBL13698771

SCHEMBL13698771

CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRB2 P47870 2/20 0.41
TSHR P16473 2/20 0.41
HTR2C P28335 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL23729048 0.85 ALDH1A1 (0.39) TSHRFAAHHPGDALDH1A1ALOX15
SCHEMBL22571461 0.83 TSHR (0.43) TSHRHTR2CLMNAMEN1KMT2A
SCHEMBL29501774 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20033362 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL1683077 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL28716736 0.82 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL819976 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL20408262 0.80 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2TSHR
Hydrochloric Acid SCHEMBL820108 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2TSHR
SCHEMBL22096053 0.79 DPP4 (0.40) GABRA1GABRG2GABRB3GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 US disclosed
WO-2023135582-A1 NEW STEREORETENTIVE RUTHENIUM COMPLEXES, METHOD OF THEIR PREPARATION, INTERMEDIATES USED IN THIS METHOD AND USE OF NEW STEREORETENTIVE RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS UNIWERSYTET WARSZAWSKI (PL) 2023-07-20 WO disclosed
EP-3720885-B1 METHOD FOR PRODUCING NITRILE RUBBERS WITH RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-01 EP disclosed
US-20200332030-A1 PROCESS FOR PRODUCING NITRILE RUBBERS USING RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2020-10-22 US disclosed
US-9738618-B2 Malienated derivatives ELEVANCE RENEWABLE SCIENCES, INC. (US) 2017-08-22 US disclosed
EP-2501707-B1 3-COORDINATE COPPER (I) - CARBENE COMPLEXES UNIV SOUTHERN CALIFORNIA (US) 2017-08-02 EP disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 US disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 US disclosed
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 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-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD GABRA1 251/4885GABRG2 249/4885GABRB3 108/4885

“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.