SCHEMBL2936346

SCHEMBL2936346

O=C(O)c1ccc(C2=CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GAA P10253 1/20 0.43
ADH5 P11766 1/20 0.42
ACMSD Q8TDX5 2/20 0.42
SRD5A2 P31213 2/20 0.40
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
RORC P51449 4/20 0.38
CLCN2 P51788 1/20 0.38
PPARG P37231 1/20 0.38
RARB P10826 1/20 0.38
P2RY14 Q15391 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TTR P02766 1/20 0.37
SRD5A1 P18405 1/20 0.37

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
SCHEMBL24860779 0.96 PDE3B (0.47) PDE3BPDE3AGAAADH5ACMSD
SCHEMBL398435 0.88 PDE3B (0.43) PDE3BPDE3AACMSDAKR1C3AKR1C2
SCHEMBL3904050 0.84 NOTUM (0.49) PDE3BPDE3AALDH1A1
SCHEMBL6068947 0.81 GAA (0.45) GAAACMSDSRD5A2CLCN2RARB
SCHEMBL22077172 0.80 NOTUM (0.50) PDE3BPDE3AALDH1A1
Hydrochloric Acid SCHEMBL9229512 0.80 ADH5 (0.52) GAAADH5SRD5A2AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL7740677 0.80 ADH5 (0.52) GAAADH5SRD5A2AKR1C3AKR1C2
SCHEMBL27902795 0.80 ACMSD (0.52) GAAACMSDSRD5A2CLCN2ALDH1A1
SCHEMBL31395110 0.80 PDE3B (0.44) PDE3BPDE3AGAAACMSDCLCN2
SCHEMBL336261 0.78 ADH5 (0.54) GAAADH5SRD5A2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
US-11390583-B2 Process for preparation of Siponimod, its salts and solid state forms thereof DR. REDDY'S LABORATORIES LIMITED (IN) 2022-07-19 US disclosed
US-20200290961-A1 PROCESS FOR PREPARATION OF SIPONIMOD, ITS SALTS AND SOLID STATE FORMS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2020-09-17 US disclosed
US-20200290961-A1 PROCESS FOR PREPARATION OF SIPONIMOD, ITS SALTS AND SOLID STATE FORMS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2020-09-17 US disclosed
WO-2019064184-A1 PROCESS FOR PREPARATION OF SIPONIMOD, ITS SALTS AND SOLID STATE FORMS THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-04-04 WO disclosed
US-20190047951-A1 AZETIDINE MODULATORS OF THE SPHINGOSINE 1-PHOSPHATE RECEPTOR AUSPEX PHARMACEUTICALS, INC. 2019-02-14 US disclosed
US-9604914-B2 Process for preparing N-(4-cyclohexyl-3-trifluoromethyl-benzyloxy)-acetimidic acid ethyl ester NOVARTIS AG (CH) 2017-03-28 US disclosed
US-9604914-B2 Process for preparing N-(4-cyclohexyl-3-trifluoromethyl-benzyloxy)-acetimidic acid ethyl ester NOVARTIS AG (CH) 2017-03-28 US disclosed
EP-2809645-A1 PROCESS FOR PREPARING N-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXY)-ACETIMIDIC ACID ETHYL ESTER Novartis AG (CH) 2014-12-10 EP disclosed
WO-2013113915-A1 PROCESS FOR PREPARING N-(4-CYCLOHEXYL-3-TRIFLUOROMETHYL-BENZYLOXY)-ACETIMIDIC ACID ETHYL ESTER NOVARTIS AG (CH) 2013-08-08 WO disclosed
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
EP-2091950-B1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2010-09-22 EP disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
WO-2008074820-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (7 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-20190047951-A1 AZETIDINE MODULATORS OF THE SPHINGOSINE 1-PHOSPHATE RECEPTOR S1PR1, S1PR2, S1PR5 PDE3B 627/4885PDE3A 470/4885GAA 1826/4885
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF S1PR1, S1PR2, S1PR3 PDE3B 869/4885PDE3A 633/4885GAA 2556/4885
US-11390583-B2 Process for preparation of Siponimod, its salts and solid state forms thereof SPHK2, S1PR4, SPHK1 PDE3B 68/4885PDE3A 66/4885GAA 4021/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 PDE3B 849/4885PDE3A 474/4885GAA 1377/4885
US-20100048639-A1 OXADIAZOLE DERIVATES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 PDE3B 122/4885PDE3A 158/4885GAA 3869/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 PDE3B 849/4885PDE3A 474/4885GAA 1377/4885
US-20200290961-A1 PROCESS FOR PREPARATION OF SIPONIMOD, ITS SALTS AND SOLID STATE FORMS THEREOF SPHK2, S1PR4, SPHK1 PDE3B 68/4885PDE3A 66/4885GAA 4021/4885

“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.