SCHEMBL3454130

SCHEMBL3454130

O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCN(c3noc4cc(Cl)ccc34)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.70
DRD3 P35462 20/20 0.70
DRD2 P14416 5/20 0.66

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
SCHEMBL1966434 1.00 HTR2A (0.70) HTR2ADRD3DRD2
SCHEMBL1966912 0.96 HTR2A (0.75) HTR2ADRD3DRD2
SCHEMBL3453805 0.96 HTR2A (0.75) HTR2ADRD3DRD2
SCHEMBL3453936 0.93 HTR2A (0.73) HTR2ADRD3DRD2
SCHEMBL1970168 0.93 HTR2A (0.68) HTR2ADRD3DRD2
SCHEMBL1970612 0.93 HTR2A (0.73) HTR2ADRD3DRD2
SCHEMBL1965292 0.93 HTR2A (0.68) HTR2ADRD3DRD2
SCHEMBL1967490 0.90 HTR2A (0.66) HTR2ADRD3DRD2
SCHEMBL3453571 0.90 HTR2A (0.66) HTR2ADRD3DRD2
SCHEMBL3454089 0.90 HTR2A (0.63) HTR2ADRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP claimed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
US-7820414-B2 Xylitol dehydrogenase-inactivated and arabinose reductase-inhibited mutant of Candida tropicalis, method of producing high-yield of xylitol using the same, and xylitol produced thereby LPBIO CO., LTD. (KR) 2010-10-26 US claimed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US claimed
US-20090004704-A1 XYLITOL DEHYDROGENASE-INACTIVATED AND ARABINOSE REDUCTASE-INHIBITED MUTANT OF CANDIDA TROPICALIS, METHOD OF PRODUCING HIGH-YIELD OF XYLITOL USING THE SAME, AND XYLITOL PRODUCED THEREBY LPBIO, CO., LTD. (KR) 2009-01-01 US claimed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
US-8343736-B2 Xylitol producing microorganism introduced with arabinose metabolic pathway and production method of xylitol using the same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-01 US disclosed
US-20120171739-A1 Xylitol Producing Microorganism Introduced with Arabinose Metabolic Pathway and Production Method of Xylitol Using the Same KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-07-05 US disclosed
CN-102057866-B Method for improving mutation breeding efficiency of jatropha curcas plants XISHUANGBANNA TROPICAL BOTAN GARDEN CAS 2012-05-02 CN disclosed
CN-102057866-A Method for improving mutation breeding efficiency of jatropha curcas plants XISHUANGBANNA TROPICAL BOTAN GARDEN CAS 2011-05-18 CN disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7820414-B2 Xylitol dehydrogenase-inactivated and arabinose reductase-inhibited mutant of Candida tropicalis, method of producing high-yield of xylitol using the same, and xylitol produced thereby LPBIO CO., LTD. (KR) 2010-10-26 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20090004704-A1 XYLITOL DEHYDROGENASE-INACTIVATED AND ARABINOSE REDUCTASE-INHIBITED MUTANT OF CANDIDA TROPICALIS, METHOD OF PRODUCING HIGH-YIELD OF XYLITOL USING THE SAME, AND XYLITOL PRODUCED THEREBY LPBIO, CO., LTD. (KR) 2009-01-01 US disclosed
WO-2002048234-A2 EPOXY RESINS AND PROCESS FOR MAKING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2002-06-20 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-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A HTR2A 1/4885DRD3 9/4885DRD2 7/4885

“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.