SCHEMBL86873

SCHEMBL86873

C1CCC(OC2CCNCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.38
EPHX1 P07099 1/20 0.33
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
PMP22 Q01453 1/20 0.31
GABRA6 Q16445 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 1/20 0.31

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
SCHEMBL3105213 0.97 HRH1 (0.37) HRH1EPHX1ALDH1A1
SCHEMBL19046623 0.97 HRH1 (0.37) HRH1EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL77301 0.97 HRH1 (0.37) HRH1EPHX1
SCHEMBL19046616 0.97 HRH1 (0.37) HRH1EPHX1ALDH1A1
SCHEMBL20327774 0.97 HRH1 (0.37) HRH1EPHX1ALDH1A1
SCHEMBL19046615 0.97 HRH1 (0.37) HRH1EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL2775809 0.95 HRH1 (0.35) HRH1EPHX1ALDH1A1
SCHEMBL77267 0.94 HRH1 (0.38) HRH1GABRPGABRDGABRA1TSHR
SCHEMBL8018672 0.91 HRH1 (0.42) HRH1EPHX1GABRPGABRDGABRA1
SCHEMBL25133943 0.88 HRH1 (0.41) HRH1EPHX1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 US disclosed
WO-2020041100-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-27 WO disclosed
US-20120129855-A1 PHTHALAZINONE DERIVATIVES MENEAR KEITH ALLAN (GB) 2012-05-24 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-8129380-B2 Phthalazinone derivatives ASTRAZENECA AB (SE) 2012-03-06 US disclosed
CN-101925595-A Phthalazinone derivatives ASTRAZENECA AB 2010-12-22 CN disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
US-20090192156-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-07-30 US disclosed
WO-2009093032-A1 PHTHALAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2009-07-30 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 (3 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-20090192156-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA HRH1 1190/4885EPHX1 2118/4885GABRP 2489/4885
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU HRH1 385/4885EPHX1 726/4885GABRP 2342/4885
US-20120129855-A1 PHTHALAZINONE DERIVATIVES CBR1, CBR3, SDHA HRH1 1190/4885EPHX1 2118/4885GABRP 2489/4885

“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.