SCHEMBL4697244

SCHEMBL4697244

Clc1c(CBr)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.54
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.41
HPRT1 P00492 1/20 0.41
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7062594 0.84 CYP2A6 (0.50) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL12013593 0.81 CYP2A6 (0.56) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4453260 0.81 CYP2A6 (0.56) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL8895165 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6910872 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL6404480 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL8578429 0.79 CYP2A6 (0.54) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL5691676 0.78 ALDH1A1 (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL30066580 0.78 ALDH1A1 (0.48) CYP2A6ALDH1A1HSD17B10TSHRTDP1
SCHEMBL10917220 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1830841-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2008-07-02 EP disclosed
EP-1830841-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP disclosed
WO-2006068992-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 WO disclosed
US-5919797-A DIAGNOSIS, THERAPY PSYCHOLOGICAL DISORDERS EMORY UNIVERSITY (US) 1999-07-06 US disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 WO disclosed
EP-0043936-A1 Method for the preparation of benzo-1,2-dithiol-3-thiones BASF Aktiengesellschaft (DE) 1982-01-20 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-20080214621-A1 Cycloalkyl Lactam Derivatives As Inhibitors Of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD3B1 CYP2A6 582/4885ALDH1A1 119/4885HSD17B10 6/4885

“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.