SCHEMBL4893807

SCHEMBL4893807

Oc1ccc2c(c1)CCC1(C2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.39
ESR1 P03372 7/20 0.39
DRD2 P14416 5/20 0.39
DRD1 P21728 4/20 0.39
DRD3 P35462 4/20 0.39
DRD5 P21918 3/20 0.39
OPRK1 P41145 1/20 0.38
HSD17B1 P14061 1/20 0.36
DRD4 P21917 2/20 0.35

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
SCHEMBL3990720 0.79 APP (0.40)
SCHEMBL18998250 0.79 ADRA2A (0.40)
SCHEMBL6797459 0.78 DRD2 (0.43) ESR2ESR1DRD2DRD1DRD3
SCHEMBL31541237 0.78 ESR2 (0.38) ESR2ESR1DRD2DRD1DRD3
SCHEMBL630543 0.77 ESR1 (0.40) ESR2ESR1DRD2DRD1DRD3
SCHEMBL6399115 0.76 KDM4E (0.35)
SCHEMBL6687949 0.76 SIGMAR1 (0.40) DRD2
SCHEMBL3982323 0.76 DRD2 (0.45) DRD2DRD3
SCHEMBL5523900 0.76 ADRA2A (0.50) DRD2DRD1DRD3DRD5DRD4
SCHEMBL3983449 0.76 ALDH1A1 (0.35)

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-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-07 US disclosed
US-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2019-05-07 US disclosed
EP-3394050-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2018-10-31 EP disclosed
WO-2017109095-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-29 WO disclosed
WO-2017109095-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-29 WO disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 US disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 US disclosed
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-22 US disclosed
EP-2001844-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-12-17 EP disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
US-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2007-10-18 US disclosed
WO-2007106469-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-09-20 WO disclosed
WO-2007106469-A2 BICYCLIC CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-09-20 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 (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-20070244155-A1 Bicyclic carboxylic acid derivatives useful for treating metabolic disorders GOT2, PC, GOT1 ESR2 1538/4885ESR1 3492/4885DRD2 2371/4885
US-10280159-B2 Fused (hetero)cyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 ESR2 422/4885ESR1 1538/4885DRD2 2356/4885
US-20170174672-A1 FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 ESR2 422/4885ESR1 1538/4885DRD2 2356/4885

“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.