SCHEMBL1222161

SCHEMBL1222161

c1ccc2c(c1)CC1(CCCNC1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
CYP3A4 P08684 7/20 0.50
CYP2D6 P10635 6/20 0.50
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 5/20 0.50
USP2 O75604 4/20 0.50
TSHR P16473 2/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 5/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 4/20 0.44
HTR2C P28335 2/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL11818352 0.84 CYP2D6 (0.45) HTR2ACYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL21788503 0.78 HTR2C (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL29610357 0.78 HTR2C (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL11826830 0.78 HTR2C (0.45) HTR2ACYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL15720982 0.75 TSHR (0.41) ALDH1A1TSHRSMN1; SMN2
SCHEMBL762112 0.74 TSHR (0.48) HTR2ACYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL29391638 0.74 TSHR (0.48) HTR2ACYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL11706445 0.73 ALDH1A1 (0.41) ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL30529399 0.73 ALDH1A1 (0.41) ALDH1A1TSHRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL25400579 0.72 TSHR (0.47) HTR2ACYP3A4CYP2D6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20110034455-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20110034455-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2011-02-10 US disclosed
US-20110034455-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. 2011-02-10 US disclosed
EP-2064187-A2 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 Vitae Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 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 (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-20110034455-A1 INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HTR2A 3230/4885CYP3A4 179/4885CYP2D6 162/4885

“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.