SCHEMBL16414589

SCHEMBL16414589

CC(C)Cc1cnc(CN)cc1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.40
▸ P2RX2 Q9UBL9 1/20 0.40
▸ NOS2 P35228 2/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ DPP4 P27487 1/20 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
SCHEMBL12701773 0.86 NOS3 (0.41) P2RX3P2RX2NOS2NOS3NOS1
SCHEMBL16414275 0.77 P2RX3 (0.40) P2RX3P2RX2NOS2NOS3NOS1
SCHEMBL16414472 0.74 NOS3 (0.44) NOS2NOS3NOS1LMNAGABRA1
SCHEMBL16414299 0.71 DHFR (0.34) NOS2NOS3NOS1LMNADPP4
SCHEMBL16414484 0.69 DHFR (0.32) P2RX3P2RX2
SCHEMBL25654726 0.68 NOS3 (0.33) P2RX3P2RX2NOS2NOS3NOS1
SCHEMBL16414455 0.68 GABRP (0.41) NOS2NOS3NOS1LMNAGABRA1
SCHEMBL27884568 0.67 P2RX3 (0.35) P2RX3P2RX2NOS2NOS3NOS1
SCHEMBL16414388 0.67 GABRA1 (0.41) P2RX3P2RX2ALDH1A1GABRA1GABRB2
SCHEMBL14257080 0.67 LMNA (0.59) P2RX3P2RX2LMNAALDH1A1

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 P2RX3 2293/4885P2RX2 1946/4885NOS2 2953/4885

“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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