SCHEMBL3453114

SCHEMBL3453114

O=C1C(Cc2c(Cl)cc(-c3ccc(N4CCCCC4)cc3)cc2Cl)CCN1C1CCc2[nH]cnc2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 3/20 0.34
HSD11B1 P28845 1/20 0.32
IP6K3 Q96PC2 1/20 0.32
ROCK2 O75116 2/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL3453111 1.00 IP6K1 (0.34) IP6K1HSD11B1IP6K3ROCK2ADORA3
SCHEMBL3453109 1.00 IP6K1 (0.34) IP6K1HSD11B1IP6K3ROCK2ADORA3
SCHEMBL3453285 0.93 PIK3CA (0.36) ROCK2
SCHEMBL3453284 0.93 PIK3CA (0.36) ROCK2
SCHEMBL3453287 0.93 PIK3CA (0.36) ROCK2
SCHEMBL3452841 0.89 ROCK2 (0.34) HSD11B1ROCK2
SCHEMBL3453865 0.89 ADRA1A (0.32) HSD11B1ROCK2
SCHEMBL3453539 0.88 HSD11B1 (0.38) HSD11B1ROCK2
SCHEMBL3454276 0.88 HTR2B (0.34)
SCHEMBL3454274 0.88 HTR2B (0.34)

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
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP claimed
US-7820659-B2 Cyclohexylimidiazole lactam derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-10-26 US claimed
US-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY 2009-04-02 US claimed
EP-2029576-B1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2013-06-19 EP 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-20090088428-A1 CYCLOHEXYLIMIDIAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD11B2 IP6K1 1766/4885HSD11B1 1/4885IP6K3 2727/4885

“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.