SCHEMBL973837

SCHEMBL973837

CCOCc1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
NR3C1 P04150 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL27470512 0.85 TSHR (0.35) TSHRALDH1A1
SCHEMBL7003465 0.82 TSHR (0.62) TSHR
SCHEMBL18705909 0.81 RAB9A (0.36)
SCHEMBL8829980 0.81 TSHR (0.35) TSHR
SCHEMBL27475759 0.79 CA1 (0.35) TSHRALDH1A1
SCHEMBL160785 0.79
SCHEMBL27457019 0.79 L3MBTL1 (0.40) TSHRALDH1A1
SCHEMBL10712656 0.78 RAB9A (0.40)
SCHEMBL10616231 0.77 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL7299928 0.77 LYPLA1 (0.40) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765816-B1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS GRUENENTHAL GMBH (DE) 2010-03-10 EP claimed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US claimed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP claimed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 WO claimed
EP-4382546-A1 POLY(UREA-URETHANE) POLYMER BASF SE (DE) 2024-06-12 EP disclosed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP disclosed
CN-116964122-A Polyurea copolymers 巴斯夫欧洲公司 2023-10-27 CN disclosed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US disclosed
US-20230062261-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-02 US disclosed
CN-114846043-A Polyurea copolymers 巴斯夫欧洲公司 2022-08-02 CN disclosed
CN-114829442-A Polyurea copolymers 巴斯夫欧洲公司 2022-07-29 CN disclosed
WO-2007079961-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-2007079959-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING ANALGESICS Grünenthal GmbH (DE) 2007-07-19 WO disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1765816-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2007-03-28 EP disclosed
WO-2006002981-A1 SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS Grünenthal GmbH (DE) 2006-01-12 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 (1 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-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 TSHR 1083/4885NR3C1 79/4885ALDH1A1 3746/4885

“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.