SCHEMBL1964502

SCHEMBL1964502

CCC(c1ccccc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.62
CYP2C19 P33261 6/20 0.62
CYP2D6 P10635 6/20 0.62
CYP3A4 P08684 5/20 0.62
TSHR P16473 1/20 0.62
OPRM1 P35372 3/20 0.61
OPRD1 P41143 3/20 0.61
OPRK1 P41145 3/20 0.61
OPRL1 P41146 3/20 0.61
CYP2C9 P11712 5/20 0.61
KCNA5 P22460 4/20 0.61
KCNH2 Q12809 4/20 0.61
KCNE1 P15382 1/20 0.59
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 1/20 0.51
MC4R P32245 3/20 0.50
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL8916036 1.00 CYP1A2 (0.62) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL8922757 0.98 CYP1A2 (0.66) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL4334322 0.98 CYP1A2 (0.66) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL30364119 0.96 OPRM1 (0.61) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL30363975 0.96 OPRM1 (0.61) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL2962625 0.92 OPRM1 (0.65) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL3246700 0.85 SLC6A4 (0.63) CYP1A2CYP2C19CYP2D6CYP3A4CYP2C9
SCHEMBL14593276 0.85 MC4R (0.69) CYP2C19CYP2D6TSHROPRM1OPRD1
SCHEMBL10598753 0.85 OPRM1 (0.63) CYP1A2CYP2C19CYP2D6CYP3A4TSHR
SCHEMBL113896 0.83 CYP1A2 (0.62) CYP1A2CYP2C19CYP2D6CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581456-A1 Use of phenylpyrrolidines for the manufacture of a medicament for the treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1994-02-02 EP claimed
US-5248690-A Nervous system disorders such as Parkinson*s disease R. J. REYNOLDS TOBACCO COMPANY (US) 1993-09-28 US claimed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
EP-3189046-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-2513028-B1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, USE OF SAID ALIZARIN COMPOUND, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORP (JP) 2018-06-20 EP disclosed
WO-2017201468-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-11-23 WO disclosed
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2017-03-16 US disclosed
US-9365552-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2016-06-14 US disclosed
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP disclosed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 EP disclosed
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 WO disclosed
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
EP-0581456-A1 Use of phenylpyrrolidines for the manufacture of a medicament for the treatment of neurodegenerative diseases R.J. REYNOLDS TOBACCO COMPANY (US) 1994-02-02 EP disclosed
US-5248690-A Nervous system disorders such as Parkinson*s disease R. J. REYNOLDS TOBACCO COMPANY (US) 1993-09-28 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-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 CYP1A2 328/4885CYP2C19 316/4885CYP2D6 812/4885
US-20170071919-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 CYP1A2 562/4885CYP2C19 456/4885CYP2D6 1014/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 CYP1A2 3364/4885CYP2C19 4516/4885CYP2D6 4354/4885

“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.