SCHEMBL3554347

SCHEMBL3554347

O=C1C(Cc2c(Cl)cccc2-c2cccnc2)CCN1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
MAPK14 Q16539 1/20 0.41
CNR1 P21554 1/20 0.40
CCR5 P51681 1/20 0.40
TSHR P16473 2/20 0.39
BACE1 P56817 2/20 0.38
DHPS P49366 2/20 0.37
MAPK10 P53779 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKDC P78527 1/20 0.36
GRM5 P41594 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
FPR1 P21462 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
Hydrochloric Acid SCHEMBL3882208 0.99 HSD11B1 (0.47) HSD11B1MAPK14CNR1CCR5TSHR
SCHEMBL3547178 0.89 HSD11B1 (0.47) HSD11B1CNR1CCR5TSHRBACE1
Hydrochloric Acid SCHEMBL3878810 0.88 HSD11B1 (0.47) HSD11B1CNR1CCR5TSHRBACE1
SCHEMBL3544238 0.87 HSD11B1 (0.60) HSD11B1CNR1CCR5TSHRPOLB
SCHEMBL3546984 0.86 HSD11B1 (0.50) HSD11B1CNR1CCR5TSHRBACE1
Hydrochloric Acid SCHEMBL3879011 0.85 HSD11B1 (0.49) HSD11B1CNR1CCR5TSHRBACE1
SCHEMBL3553955 0.82 HSD11B1 (0.64) HSD11B1CNR1POLBMEN1KMT2A
SCHEMBL3001080 0.80 HSD11B1 (0.48) HSD11B1CNR1CCR5BACE1CYP1A2
SCHEMBL3002320 0.80 HSD11B1 (0.57) HSD11B1CNR1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL3997563 0.79 HSD11B1 (0.47) HSD11B1CNR1CCR5BACE1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US claimed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP claimed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US claimed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2010-07-22 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
US-7713979-B2 Cycloalkyl lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-05-11 US disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 HSD11B1 1/4885MAPK14 2557/4885CNR1 1591/4885
US-20100184764-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD17B1, HSD3B1 HSD11B1 1/4885MAPK14 1464/4885CNR1 1140/4885

“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.