SCHEMBL4155420

SCHEMBL4155420

Br/C=C1\c2ccccc2CCc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.49
CHRM2 P08172 3/20 0.49
HTR1A P08908 3/20 0.49
CHRM1 P11229 3/20 0.49
DRD2 P14416 3/20 0.49
HTR2A P28223 3/20 0.49
HTR2C P28335 3/20 0.49
ADRA1A P35348 3/20 0.49
OPRK1 P41145 3/20 0.49
HTR2B P41595 3/20 0.49
KCNH2 Q12809 3/20 0.49
PTAFR P25105 2/20 0.43
MIF P14174 1/20 0.40
CYP19A1 P11511 4/20 0.39
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
SLC6A2 P23975 4/20 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
SCHEMBL4155423 1.00 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL730635 0.84 HRH1 (0.58) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL31317931 0.84 HRH1 (0.58) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4163552 0.82 HRH1 (0.56) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4163549 0.82 HRH1 (0.56) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4165095 0.82 MIF (0.39) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4161576 0.82 MIF (0.39) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4161573 0.82 MIF (0.39) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL4040169 0.80 CES1 (0.50) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL14288488 0.77 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1DRD2

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 341/4885CHRM2 881/4885HTR1A 429/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HRH1 351/4885CHRM2 792/4885HTR1A 416/4885

“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.