SCHEMBL3639741

SCHEMBL3639741

COc1cc(OC(C)C)ccc1CN

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.46
HTR2A P28223 2/20 0.42
ADRA1A P35348 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MELK Q14680 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PARP10 Q53GL7 1/20 0.40
ADRA2A P08913 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CRHR1 P34998 1/20 0.39

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
SCHEMBL153750 0.83 APLNR (0.63) APLNRHTR2AADRA1ATAAR1MAPT
SCHEMBL29350908 0.83 APLNR (0.63) APLNRHTR2AADRA1ATAAR1MAPT
SCHEMBL5427153 0.83 APLNR (0.46) APLNR
Hydrochloric Acid SCHEMBL1197172 0.82 APLNR (0.61) APLNRHTR2AADRA1ATAAR1MAPT
SCHEMBL23720254 0.81 APLNR (0.45) APLNRHTR2ACRHR1
SCHEMBL29042697 0.81 APLNR (0.53) APLNRHTR2AADRA1ATAAR1MAPT
SCHEMBL2949451 0.81 ADRA1A (0.42) APLNRADRA1ATAAR1MELKGAA
Hydrochloric Acid SCHEMBL5315399 0.80 APLNR (0.59) APLNRHTR2AADRA1ATAAR1MELK
Methyl Alcohol SCHEMBL28318211 0.80 APLNR (0.59) APLNRADRA1ATAAR1GAAADRA2A
SCHEMBL4687533 0.80 MELK (0.44) APLNRHTR2AADRA1ATAAR1MELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP claimed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2022-09-22 US disclosed
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 US disclosed
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 US disclosed
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 US disclosed
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 US disclosed
EP-3672954-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN disclosed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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 (6 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 APLNR 2147/4885HTR2A 1464/4885ADRA1A 129/4885
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 APLNR 3015/4885HTR2A 3889/4885ADRA1A 1880/4885
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 APLNR 3015/4885HTR2A 3889/4885ADRA1A 1880/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 APLNR 3015/4885HTR2A 3889/4885ADRA1A 1880/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 APLNR 3015/4885HTR2A 3889/4885ADRA1A 1880/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 APLNR 3015/4885HTR2A 3889/4885ADRA1A 1880/4885

“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.