SCHEMBL3218850

SCHEMBL3218850

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
PLG P00747 1/20 0.38
SLC6A3 Q01959 2/20 0.38
NOTUM Q6P988 2/20 0.38
RBP4 P02753 1/20 0.36
P2RY14 Q15391 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL28147255 0.80 HTR2C (0.65) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL29915690 0.78 HTR2C (0.66) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL4893521 0.78 HTR2C (0.66) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6491329 0.73 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3OPRL1HTR1A
SCHEMBL6489351 0.73 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3OPRL1HTR1A
SCHEMBL6330813 0.73 HTR2C (0.53) HTR2CCHRNB2CHRNA4PLGNOTUM
SCHEMBL6330812 0.73 HTR2C (0.53) HTR2CCHRNB2CHRNA4PLGNOTUM
SCHEMBL6330817 0.73 HTR2C (0.53) HTR2CCHRNB2CHRNA4PLGNOTUM
SCHEMBL6331276 0.73 HTR2C (0.53) HTR2CCHRNB2CHRNA4PLGNOTUM
SCHEMBL6331278 0.73 HTR2C (0.53) HTR2CCHRNB2CHRNA4PLGNOTUM

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 6 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
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 CN disclosed
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO 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 1366/4885CHRNB2 3981/4885CHRNB4 3893/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR2C 806/4885CHRNB2 3405/4885CHRNB4 3088/4885

“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.