SCHEMBL16414299

SCHEMBL16414299

CCCc1cnc(CN)cc1CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 4/20 0.34
▸ LMNA P02545 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ CYP2E1 P05181 3/20 0.33
▸ CYP2C8 P10632 3/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ CYP2A6 P11509 3/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2B6 P20813 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31

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
SCHEMBL16414455 0.89 GABRP (0.41) LMNANOS3NOS1NOS2CYP2D6
SCHEMBL16389971 0.85 KDM4E (0.39) DHFRLMNANOS3NOS1NOS2
SCHEMBL8170855 0.80 GABRP (0.45) LMNANOS2CYP2D6CYP3A4CYP1A2
SCHEMBL16414472 0.79 NOS3 (0.44) DHFRLMNANOS3NOS1NOS2
SCHEMBL28158261 0.74 SLC6A2 (0.41) DHFRLMNANOS3NOS1NOS2
SCHEMBL16414449 0.73 DHFR (0.33) DHFRNOS3NOS1NOS2
SCHEMBL21652659 0.72 NOS3 (0.60) DHFRLMNANOS3NOS1NOS2
SCHEMBL16414589 0.71 P2RX3 (0.40) LMNANOS3NOS1NOS2DPP4
SCHEMBL30021400 0.69 NOS3 (0.42) DHFRLMNANOS3NOS1NOS2
SCHEMBL19310950 0.68 NOS2 (0.46) DHFRNOS3NOS1NOS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US claimed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP claimed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — US claimed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 — — EP disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 — — EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 — — 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 (1 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-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 DHFR 2117/4885LMNA 2381/4885NOS3 2532/4885

“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.

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