SCHEMBL2383072

SCHEMBL2383072

CCC(CC)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.53
LMNA P02545 3/20 0.53
GALR3 O60755 1/20 0.53
OPRM1 P35372 2/20 0.53
SLC22A1 O15245 1/20 0.53
ADRB1 P08588 2/20 0.52
ADRA1A P35348 2/20 0.52
TSHR P16473 2/20 0.52
ADRB2 P07550 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRB3 P13945 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
NFKB1 P19838 1/20 0.52
DRD1 P21728 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL21164589 0.88 SLC22A1 (0.47) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL27508911 0.86 HIF1A (0.50) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL24372163 0.85 OPRM1 (0.45) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL882235 0.84 OPRM1 (0.55) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL12438398 0.84 OPRM1 (0.55) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL24406297 0.84 OPRM1 (0.55) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL1634407 0.84 GABBR2 (0.46) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL2499542 0.84 GABBR2 (0.46) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL2500898 0.84 GABBR2 (0.46) HIF1ALMNAGALR3OPRM1SLC22A1
SCHEMBL30656282 0.84 LMNA (0.42) HIF1ALMNAGALR3OPRM1SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
WO-2018144649-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME Arvinas, Inc. (US) 2018-08-09 WO disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP disclosed
WO-1995025083-A1 PROCESS FOR THE PREPARATION OF ARYL HALOFORMATES AND DIARYL CARBONATES GALVAN, RAFAEL 1995-09-21 WO disclosed
US-5424473-A Process for the preparation of aryl haloformates and diaryl carbonates THE DOW CHEMICAL COMPANY (US) 1995-06-13 US disclosed
US-4390710-A A 4-AMINOPYRIDINE WITH A PYRIDINE PPG INDUSTRIES, INC. (US) 1983-06-28 US disclosed
EP-0040741-B1 PROCESS FOR THE PREPARATION OF CHLOROFORMIC-ACID ARYL ESTERS BAYER AG (DE) 1983-06-08 EP disclosed
US-4366102-A Process for the preparation of chloroformic acid aryl esters BAYER AKTIENGESELLSCHAFT (DE) 1982-12-28 US disclosed
EP-0040741-A1 Process for the preparation of chloroformic-acid aryl esters BAYER AG (DE) 1981-12-02 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 (4 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 HIF1A 2415/4885LMNA 1834/4885GALR3 3418/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HIF1A 851/4885LMNA 2851/4885GALR3 2083/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A HIF1A 851/4885LMNA 2851/4885GALR3 2083/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A HIF1A 851/4885LMNA 2851/4885GALR3 2083/4885

“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.