SCHEMBL1016157

SCHEMBL1016157

Cc1ccc(CCC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2A6 P11509 2/20 0.50
CYP1A2 P05177 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
FFAR1 O14842 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGXT P21549 1/20 0.38
CHKA P35790 1/20 0.38
GLA P06280 1/20 0.37

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
SCHEMBL24915901 0.94 KMT2A (0.47) MEN1KMT2ACYP2A6CYP1A2TAAR1
SCHEMBL8764230 0.87 MEN1 (0.64) MEN1KMT2ACYP2A6CYP1A2ALDH1A1
SCHEMBL7020238 0.84 FFAR1 (0.66) ALDH1A1FFAR1TDP1
SCHEMBL8505731 0.83 IGF1R (0.47) CYP2A6CYP1A2TAAR1ALDH1A1KCNH2
SCHEMBL9788917 0.81 MEN1 (0.52) MEN1KMT2ACYP2A6ALDH1A1MMP9
SCHEMBL10264572 0.81 CYP2A6 (0.54) MEN1KMT2ACYP2A6TAAR1SMN1; SMN2
SCHEMBL9552869 0.80 KMT2A (0.56) MEN1KMT2AALDH1A1HRH3FFAR1
SCHEMBL8763175 0.80 MEN1 (0.56) MEN1KMT2ACYP1A2ALDH1A1KCNH2
SCHEMBL23649655 0.78 L3MBTL1 (0.43) MEN1KMT2AALDH1A1MMP9MMP13
SCHEMBL31324214 0.77 HSD17B10 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
EP-4737544-A1 PERFUME COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2026-05-06 EP disclosed
WO-2025004871-A1 PERFUME COMPOSITION 三菱瓦斯化学株式会社 2025-01-02 WO disclosed
WO-2024008680-A1 AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-11 WO disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 US disclosed
CN-110845364-B Preparation method of nitrile compound with formamide as cyanogen source 湘潭大学 2023-02-03 CN disclosed
EP-4116307-A1 BORON CARRYING AGENT FOR INTEGRATED TUMOR DIAGNOSIS AND TREATMENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Peking University (CN) 2023-01-11 EP disclosed
CN-115403533-A 1-styryl-1, 2, 3-triazole compound and preparation method and application thereof 永康市第一人民医院 2022-11-29 CN disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 US disclosed
CN-1845901-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-11 CN disclosed
CN-1678587-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2005-10-05 CN disclosed
CN-1138756-C Preparation of tirt nitrile substituted aromatic compound �Ʒ� 2004-02-18 CN disclosed
CN-1271723-A Preparation of tirt nitrile substituted aromatic compound PFIZER PRODUCT CO (US) 2000-11-01 CN disclosed
US-5214193-A Coupling a dialkylphenol with aldehyde, esterification, crystallization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-25 US disclosed
EP-0270841-A2 2-Methyl-3-(para-methyl-phenyl) propionitrile, its preparation and use as a perfuming agent BASF Aktiengesellschaft (DE) 1988-06-15 EP disclosed
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0040896-B1 SYNTHESIS OF AMIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-25 EP disclosed
EP-0040896-A2 Synthesis of amides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-12-02 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP 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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 MEN1 3092/4885KMT2A 3831/4885CYP2A6 2337/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS MEN1 4681/4885KMT2A 4093/4885CYP2A6 2582/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 MEN1 3092/4885KMT2A 3831/4885CYP2A6 2337/4885

“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.