SCHEMBL3219375

SCHEMBL3219375

CC1CN(c2ccccc2C(F)(F)F)CCN1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.59
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 4/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
AKR1C3 P42330 1/20 0.42
HTR2B P41595 3/20 0.41
HTR2A P28223 1/20 0.41
NCF1 P14598 1/20 0.41
NOTUM Q6P988 1/20 0.40
TTR P02766 1/20 0.40
RBP4 P02753 2/20 0.39
KHK P50053 1/20 0.39
DRD4 P21917 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL23744700 1.00 HTR2C (0.59) HTR2CKMT2AHSD11B1EPHX2ALDH1A1
SCHEMBL3219365 1.00 HTR2C (0.59) HTR2CKMT2AHSD11B1EPHX2ALDH1A1
SCHEMBL30345613 1.00 HTR2C (0.59) HTR2CKMT2AHSD11B1EPHX2ALDH1A1
SCHEMBL30345707 0.82 RBP4 (0.44) HTR2CKMT2AHSD11B1ALDH1A1LMNA
SCHEMBL23744698 0.82 RBP4 (0.44) HTR2CKMT2AHSD11B1ALDH1A1LMNA
SCHEMBL23744701 0.82 RBP4 (0.44) HTR2CKMT2AHSD11B1ALDH1A1LMNA
SCHEMBL30345809 0.82 RBP4 (0.44) HTR2CKMT2AHSD11B1ALDH1A1LMNA
SCHEMBL1457210 0.81 EPHX2 (0.66) HTR2CHSD11B1EPHX2
SCHEMBL1734757 0.81 EPHX2 (0.66) HTR2CHSD11B1EPHX2
SCHEMBL3630668 0.81 EPHX2 (0.66) HTR2CHSD11B1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 HTR2C 1366/4885KMT2A 1609/4885HSD11B1 1/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR2C 806/4885KMT2A 1591/4885HSD11B1 1/4885

“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.