SCHEMBL797162

SCHEMBL797162

Cc1c[c]nc(C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL797737 0.77
SCHEMBL14481622 0.76
SCHEMBL8565629 0.72 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4TSHRACHE
SCHEMBL797774 0.72
SCHEMBL797777 0.71 CYP3A4 (0.36) CYP3A4TSHR
SCHEMBL796937 0.71 NOS3 (0.34)
SCHEMBL7955998 0.71
SCHEMBL52748 0.70
SCHEMBL796864 0.70
SCHEMBL797336 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062044-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US claimed
EP-2491031-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-07 EP claimed
US-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-30 US claimed
EP-2491031-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
EP-0102542-B1 1,2,4,6-THIATRIAZIN-1,1-DIOXIDE ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1990-07-04 EP claimed
EP-0207412-B1 PROCESS FOR PREPARING ESTERS OF (THIONO)PHOSPHORIC ACID BAYER AG (DE) 1990-04-04 EP claimed
US-4772702-A Preparation of (thiono)phosphoric esters BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US claimed
EP-0022141-B2 COMPOSITIONS AND METHODS FOR REDUCING HERBICIDAL INJURY MONSANTO COMPANY (US) 1987-12-02 EP claimed
EP-0207412-A2 Process for preparing esters of (thiono)phosphoric acid BAYER AG (DE) 1987-01-07 EP claimed
US-4585472-A PRE- AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US claimed
EP-0102542-A2 1,2,4,6-Thiatriazin-1,1-dioxide ethers, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-03-14 EP claimed
EP-0022141-B1 COMPOSITIONS AND METHODS FOR REDUCING HERBICIDAL INJURY MONSANTO COMPANY (US) 1983-06-08 EP claimed
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 EP disclosed
US-9062044-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-9040537-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2015-05-26 US disclosed
EP-0207412-A2 Process for preparing esters of (thiono)phosphoric acid BAYER AG (DE) 1987-01-07 EP disclosed
US-4585472-A PRE- AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-04-29 US disclosed
EP-0102542-A2 1,2,4,6-Thiatriazin-1,1-dioxide ethers, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-03-14 EP disclosed
EP-0022141-B1 COMPOSITIONS AND METHODS FOR REDUCING HERBICIDAL INJURY MONSANTO COMPANY (US) 1983-06-08 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 (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-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR ALDH1A1 2359/4885TP53 4884/4885CYP3A4 2197/4885

“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.