SCHEMBL8897260

SCHEMBL8897260

Cc1ccc(CN)c(CN)c1CN

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PNMT P11086 2/20 0.31
LMNA P02545 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL29726557 1.00 TAAR1 (0.35) TAAR1SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL18428590 0.84 PNMT (0.39) TAAR1PNMTCYP2A6
SCHEMBL3667007 0.83 TAAR1 (0.34) TAAR1PNMT
SCHEMBL11021619 0.83 TAAR1 (0.34) TAAR1SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL3673510 0.79 TAAR1 (0.32) TAAR1
SCHEMBL3667297 0.79 PNMT (0.40) TAAR1PNMTLMNA
SCHEMBL3676586 0.79 HTR2A (0.33) TAAR1
SCHEMBL3670971 0.78 TAAR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3PNMT
SCHEMBL30153336 0.78 NOS3 (0.38) TAAR1NOS3NOS2
SCHEMBL395903 0.74 POLB (0.35) TAAR1NOS3NOS2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180136-B2 Organic amine collection method ASAHI KASEL KABUSHIKI KAISHA (JP) 2024-12-31 US disclosed
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
US-20230139979-A1 ORGANIC AMINE COLLECTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
US-11578030-B2 Organic amine collection method ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-02-14 US disclosed
EP-3872062-B1 ORGANIC AMINE COLLECTION METHOD ASAHI CHEMICAL IND (JP) 2022-09-07 EP disclosed
EP-3733644-B1 ORGANIC AMINE COLLECTION METHOD ASAHI CHEMICAL IND (JP) 2022-09-07 EP disclosed
CN-111183131-B Method for recovering organic amine 旭化成株式会社 2022-06-28 CN disclosed
US-20210155573-A1 ORGANIC AMINE COLLECTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-05-27 US disclosed
EP-3733644-A1 ORGANIC AMINE COLLECTION METHOD Asahi Kasei Kabushiki Kaisha (JP) 2020-11-04 EP disclosed
CN-111183131-A Method for recovering organic amine 旭化成株式会社 2020-05-19 CN disclosed
US-5635506-A ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-03 US disclosed
WO-1994006771-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-03-31 WO 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 (5 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-20230139979-A1 ORGANIC AMINE COLLECTION METHOD H1-0, F12, C1S TAAR1 76/4885SLC6A2 1235/4885SLC6A4 1424/4885
US-11578030-B2 Organic amine collection method H1-0, C1S, NGLY1 TAAR1 99/4885SLC6A2 1038/4885SLC6A4 1628/4885
US-12180136-B2 Organic amine collection method H1-0, F12, C1S TAAR1 76/4885SLC6A2 1235/4885SLC6A4 1424/4885
US-20210155573-A1 ORGANIC AMINE COLLECTION METHOD H1-0, C1S, NGLY1 TAAR1 99/4885SLC6A2 1038/4885SLC6A4 1628/4885
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 TAAR1 3149/4885SLC6A2 4744/4885SLC6A4 4562/4885

“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.