SCHEMBL956458

SCHEMBL956458

CCc1ccccc1CC#N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
MGLL Q99685 1/20 0.42
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL31686029 1.00 ALDH1A1 (0.52) ALDH1A1HPGDMGLLGABRA1GABRB2
SCHEMBL29809738 0.87 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL1945874 0.87 ALDH1A1 (0.56) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL7781555 0.82 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
Water SCHEMBL5700740 0.82 GABRA1 (0.55) ALDH1A1MGLLGABRA1GABRB2CYP2D6
SCHEMBL8763318 0.80 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
Cyanate SCHEMBL28199832 0.80 GABRA1 (0.50) ALDH1A1HPGDMGLLGABRA1GABRB2
SCHEMBL8592198 0.80 L3MBTL1 (0.49) ALDH1A1HPGDMAPTNPSR1L3MBTL1
Nitrogen SCHEMBL27542451 0.79 GABRA1 (0.52) ALDH1A1MGLLGABRA1GABRB2CYP2D6
SCHEMBL25425763 0.79 GABRA1 (0.58) ALDH1A1MGLLGABRA1GABRB2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205458-A2 FORMULATIONS FOR REPELLING BEES AND OTHER INSECTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-26 WO disclosed
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2023-02-21 US disclosed
EP-3943500-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF Agilent Technologies, Inc. (US) 2022-01-26 EP disclosed
US-20220002334-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF UNIVERSITY OF COLORADO BOULDER 2022-01-06 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2019-02-05 US disclosed
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES CHROMOCELL CORPORATION (US) 2017-10-26 US disclosed
US-9458118-B2 Sodium channel modulators for the treatment of pain and diabetes CHROMOCELL CORPORATION (US) 2016-10-04 US disclosed
US-20160221974-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORPORATION (US) 2016-08-04 US disclosed
US-20160130239-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES CHROMOCELL CORPORATION (US) 2016-05-12 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
CN-1715301-A Catalyst component for olefin polymerization reaction and its catalyst CHINA PETROCHEMICAL CORP (CN) 2006-01-04 CN disclosed
EP-0949247-B1 Process for the preparation of piperidinylidene derivatives TAKASAGO PERFUMERY CO LTD (JP) 2001-09-12 EP disclosed
US-6008358-A Process for the preparation of piperidinylidene derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-28 US disclosed
EP-0949247-A1 Process for the preparation of piperidinylidene derivatives Takasago International Corporation (JP) 1999-10-13 EP disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4136156-A HYDROGEN CYANIDE, HYDROGENATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-01-23 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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-20160221974-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES SCN7A, SCN1A, SCN10A ALDH1A1 2045/4885HPGD 1212/4885MGLL 2366/4885
US-20160130239-A1 SODIUM CHANNEL MODULATORS FOR THE TREATMENT OF PAIN AND DIABETES SCN7A, SCN1A, SCN10A ALDH1A1 2045/4885HPGD 1212/4885MGLL 2366/4885
US-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 ALDH1A1 3878/4885HPGD 2164/4885MGLL 3873/4885
US-20220002334-A1 PHOSPHOROUS PROTECTING GROUPS AND METHODS OF PREPARATION AND USE THEREOF POLN, POLRMT, NUDT21 ALDH1A1 3878/4885HPGD 2164/4885MGLL 3873/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 ALDH1A1 2178/4885HPGD 3894/4885MGLL 2220/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885HPGD 2042/4885MGLL 4470/4885
US-11584773-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 ALDH1A1 3878/4885HPGD 2164/4885MGLL 3873/4885
US-20170304306-A1 SELECTIVE NaV1.7 INHIBITORS FOR THE TREATMENT OF DIABETES SCN7A, SCN1A, SCN1B ALDH1A1 1261/4885HPGD 2375/4885MGLL 4395/4885

“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.