SCHEMBL1944201

SCHEMBL1944201

CCC(c1ccccc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.59
GOPC Q9HD26 2/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
SLC6A3 Q01959 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
KCNA5 P22460 7/20 0.51
KCNH2 Q12809 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TBXAS1 P24557 1/20 0.51
S1PR1 P21453 1/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNN4 O15554 3/20 0.47
GAA P10253 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
Ammonia Solution, Strong SCHEMBL5999698 0.98 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL658876 0.96 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL6000373 0.88 CFTR (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL11737642 0.88 CYP19A1 (0.62) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5999435 0.86 POLB (0.50) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5999471 0.86 SLC6A4 (0.44) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL6000489 0.86 CYP19A1 (0.60) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23970158 0.85 TBXAS1 (0.56) CFTRGOPCSLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5999968 0.84 CYP17A1 (0.61) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10219854 0.82 CYP11B1 (0.56) CFTRGOPCSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214793-A1 (2-Cyano-2-arylethyl)pyridines, their preparation and use as fungicides ROHM AND HAAS COMPANY (US) 1987-03-18 EP claimed
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute 2023-09-21 US disclosed
EP-3904330-A1 ETHYLENEDIAMINE COMPOUND AND USE THEREOF Academy Of Military Medical Sciences (CN) 2021-11-03 EP disclosed
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-8334252-B2 Perfume-containing hollow body consisting of a polymer matrix SYMRISE AG (DE) 2012-12-18 US disclosed
US-20110130320-A1 PERFUME-CONTAINING HOLLOW BODY CONSISTING OF A POLYMER MATRIX SYMRISE AG (DE) 2011-06-02 US disclosed
US-7825136-B2 Potentiators of antibacterial activity VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals VERTEX PHARMACEUTICALS INCORPORATED 2005-04-28 US disclosed
US-6326387-B1 NEUROTROPIC COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2001-12-04 US disclosed
US-4116665-A Method of regulating the growth of aquatic weeds with pyridine derivatives ELI LILLY AND COMPANY (US) 1978-09-26 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-20050090482-A1 mixture of antibiotics, carriers and activators such as (S)-1-((3,4,5-Trimethoxyphenyl)-methyl-carbamoyl)-piperidine-2-carboxylic acid 4-pyridin-3-yl-1-(3-pyridin-3-yl-propyl)-butyl ester, used for treatment of bacterial infection in mammals TLR1, ABCB11, SLC7A1 CFTR 30/4885GOPC 4484/4885SLC6A2 2005/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 CFTR 4487/4885GOPC 4199/4885SLC6A2 4424/4885
US-20230295181-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS API5, XIAP, BIRC5 CFTR 3862/4885GOPC 3152/4885SLC6A2 4825/4885

“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.