SCHEMBL4163552

SCHEMBL4163552

Clc1ccc2c(c1)CCc1cccnc1C2=CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
ADRB2 P07550 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM4 P08173 1/20 0.56
ABCB1 P08183 1/20 0.56
HTR1A P08908 1/20 0.56
CHRM5 P08912 1/20 0.56
ADRA2A P08913 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
DRD4 P21917 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL4163549 1.00 HRH1 (0.56) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL18015679 0.87 HRH1 (0.66) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL23419840 0.86 HRH1 (0.56) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4155423 0.82 HRH1 (0.49) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4155420 0.82 HRH1 (0.49) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4157276 0.80 HRH1 (0.48) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4157278 0.80 HRH1 (0.48) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4041916 0.80 HTT (0.50) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4036590 0.79 HTT (0.44) HRH1MEN1LMNAADRB2CHRM2
SCHEMBL4036595 0.79 HTT (0.44) HRH1MEN1LMNAADRB2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 HRH1 341/4885MEN1 2935/4885LMNA 2774/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HRH1 351/4885MEN1 2716/4885LMNA 2846/4885

“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.