SCHEMBL3222955

SCHEMBL3222955

C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)CCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.55
HSD11B1 P28845 3/20 0.49
DPP4 P27487 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PREP P48147 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
XIAP P98170 2/20 0.40
BIRC2 Q13490 2/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
AOC3 Q16853 1/20 0.38
CRHR1 P34998 1/20 0.38
ALK Q9UM73 2/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL12182668 0.84 ALDH1A1 (0.44) HTR2CHSD11B1DPP4ALDH1A1LMNA
SCHEMBL12182701 0.84 ALDH1A1 (0.44) HTR2CHSD11B1DPP4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28829935 0.83 ALDH1A1 (0.46) HTR2CHSD11B1DPP4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28829934 0.83 ALDH1A1 (0.46) HTR2CHSD11B1DPP4ALDH1A1LMNA
Hydrochloric Acid SCHEMBL29767487 0.83 ALDH1A1 (0.46) HTR2CHSD11B1DPP4ALDH1A1LMNA
SCHEMBL3221802 0.82 HSD11B1 (0.59) HTR2CHSD11B1ALDH1A1LMNA
SCHEMBL3219995 0.82 HSD11B1 (0.59) HTR2CHSD11B1ALDH1A1LMNA
SCHEMBL20830204 0.82 DRD2 (0.49) HTR2CHSD11B1DPP4ALDH1A1PREP
SCHEMBL6859247 0.81 HSD11B1 (0.42) HTR2CHSD11B1DPP4PREPDPP8
SCHEMBL6859245 0.81 HSD11B1 (0.42) HTR2CHSD11B1DPP4PREPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141550-A2 11-BETA HSD1 INHIBITORS WYETH LLC (US) 2010-12-09 WO disclosed
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 1366/4885HSD11B1 1/4885DPP4 310/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR2C 806/4885HSD11B1 1/4885DPP4 288/4885

“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.