SCHEMBL15112858

SCHEMBL15112858

Cc1cc(C2CC2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
TSHR P16473 1/20 0.43
HCRTR2 O43614 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
FASN P49327 1/20 0.39
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
AR P10275 4/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TLR9 Q9NR96 1/20 0.34
NR3C2 P08235 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL31335 0.93 USP30 (0.46) USP30TSHRHCRTR2MAOAMAOB
SCHEMBL20156409 0.92 USP30 (0.48) USP30TSHRMAOAMAOBFASN
SCHEMBL18722119 0.91 USP30 (0.47) USP30TSHRMAOAMAOBFASN
SCHEMBL28779325 0.88 HTR2C (0.51) USP30TLR9HTR2C
SCHEMBL1367052 0.88 USP30 (0.43) USP30TSHRHCRTR2MAOAMAOB
SCHEMBL13787074 0.86 TSHR (0.42) USP30TSHRHCRTR2CYP11B2CTSS
Hydrochloric Acid SCHEMBL27608596 0.86 HTR2C (0.53) USP30TLR9HTR2C
SCHEMBL14601397 0.86 CYP2C9 (0.47) USP30TSHRHCRTR2FASNAR
SCHEMBL26391946 0.82 ESR2 (0.44) USP30TSHRHCRTR2FASNCYP11B2
SCHEMBL26391959 0.82 CYP11B1 (0.41) USP30TSHRHCRTR2FASNCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed
EP-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 EP disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 EP disclosed
US-20190330202-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2019-10-31 US disclosed
US-10392380-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2019-08-27 US disclosed
US-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 US disclosed
US-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 US 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 (8 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-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 USP30 20/4885TSHR 3585/4885HCRTR2 4520/4885
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 USP30 4561/4885TSHR 399/4885HCRTR2 918/4885
US-20180162852-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 USP30 19/4885TSHR 3406/4885HCRTR2 4546/4885
US-10392380-B2 Compounds UCHL1, UCHL3, UCHL5 USP30 20/4885TSHR 3585/4885HCRTR2 4520/4885
US-20190330202-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 USP30 19/4885TSHR 3406/4885HCRTR2 4546/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 USP30 19/4885TSHR 3406/4885HCRTR2 4546/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 USP30 19/4885TSHR 3406/4885HCRTR2 4546/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 USP30 4530/4885TSHR 424/4885HCRTR2 762/4885

“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.