SCHEMBL6707686

SCHEMBL6707686

CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CDK9 P50750 1/20 0.49
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43

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
SCHEMBL11558185 1.00 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL11558180 1.00 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL6707683 1.00 CCNT1 (0.49) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL14186235 0.85 SLC6A3 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL6042661 0.83 SLC6A3 (0.60) SLC6A3
SCHEMBL463706 0.83 SLC18A3 (0.58) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL11562671 0.83 SLC18A3 (0.58) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL11558947 0.83 SLC18A3 (0.58) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL11558939 0.83 SLC18A3 (0.58) CCNT1CCNA2CDK2CDK9SLC6A2
SCHEMBL11562664 0.83 SLC18A3 (0.58) CCNT1CCNA2CDK2CDK9SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167163-A1 Optically pure paroxetine precursors ASTUR-PHARMA, S.A. (ES) 2004-08-26 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 (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-20040167163-A1 Optically pure paroxetine precursors CYP3A5, TPH2, MAOA CCNT1 2307/4885CCNA2 1513/4885CDK2 803/4885

“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.