SCHEMBL2162162

SCHEMBL2162162

C=CCc1c(N)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.61
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HPRT1 P00492 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.38
GLA P06280 1/20 0.35
HIF1A Q16665 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
SCHEMBL253635 0.79 HSD17B10 (0.41) IMPDH2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL8579502 0.79 ALDH1A1 (0.46) IMPDH2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL9294181 0.78 HSD17B10 (0.57) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL29625674 0.78 HSD17B10 (0.57) ALDH1A1HSD17B10HPGDTSHRCYP3A4
SCHEMBL8637918 0.78 HSD17B10 (0.40) IMPDH2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL301407 0.78 HSD17B10 (0.40) IMPDH2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL1325658 0.78 HSD17B10 (0.63) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL7198503 0.78 TSHR (0.48) IMPDH2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL2533977 0.78 HSD17B10 (0.40) IMPDH2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL31201820 0.78 HSD17B10 (0.63) ALDH1A1HSD17B10HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4131587-A ORGANIC AMINES EXXON RESEARCH & ENGINEERING CO. (US) 1978-12-26 US claimed
EP-3184171-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2019-03-20 EP disclosed
US-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-12-04 US disclosed
US-9962689-B2 Phosphinyl formamidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-05-08 US disclosed
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2017-10-26 US disclosed
US-9732106-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-08-15 US disclosed
EP-3184171-A1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2017-06-28 EP disclosed
EP-2519532-B1 PHOSPHINYL AMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS CHEVRON PHILLIPS CHEMICAL CO LP (US) 2017-03-08 EP disclosed
US-20160375431-A1 Phosphinyl Formamidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-12-29 US disclosed
EP-3083646-A1 PHOSPHINYL FORMAMIDINE COMPOUNDS, METAL COMPLEXES, CATALYST SYSTEMS, AND THEIR USE TO OLIGOMERIZE OR POLYMERIZE OLEFINS Chevron Phillips Chemical Company LP (US) 2016-10-26 EP disclosed
US-5661185-A AN ALKOXYPHENYL-ALKYLUREA COMPOUND TREATING SLEEP DISORDER BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
US-5661186-A MELATONERGIC EFFECT; CENTRAL NERVOUS SYSTEM DISODERS BRISTOL-MYERS SQUIBB CO. (US) 1997-08-26 US disclosed
EP-0728738-A1 Tetralinyl- and indanyl-ethylamides having melatonergic activity BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-28 EP disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0718286-A1 3-Alkoxybenzylpiperidine derivatives as melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-26 EP disclosed
US-5530012-A FOR SLEEP DISORDERS, DEPRESSION, GLAUCOMA, CANCER BRISTOL-MYERS SQUIBB CO. (US) 1996-06-25 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
US-5318994-A Treating melatoninergic disorders ADIR ET COMPAGNIE (FR) 1994-06-07 US disclosed
US-5225442-A Melatoninergic disorders ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
US-5194614-A COMPOUNDS HAVING A NAPHTHALENE STRUCTURE ADIR ET COMPAGNIE (FR) 1993-03-16 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 (3 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-10144752-B2 Phosphinyl amidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins NIT2, NCLN, NPM1 IMPDH2 1314/4885ALDH1A1 4849/4885HSD17B10 4182/4885
US-20170305945-A1 Phosphinyl Amidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, NCLN, NPM1 IMPDH2 1314/4885ALDH1A1 4849/4885HSD17B10 4182/4885
US-20160375431-A1 Phosphinyl Formamidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, INF2, PFAS IMPDH2 990/4885ALDH1A1 4794/4885HSD17B10 4294/4885

“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.