SCHEMBL18170322

SCHEMBL18170322

CCCN1CC(Oc2ccc(I)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
HRH3 Q9Y5N1 3/20 0.48
DRD2 P14416 3/20 0.39
SLC6A4 P31645 1/20 0.37
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
PARP1 P09874 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL6929073 0.85 HRH3 (0.49) ESR1HRH3DRD2SLC6A4KDM2B
SCHEMBL18200131 0.83 CARM1 (0.49) ESR1HRH3DRD2SLC6A4DRD1
SCHEMBL16291964 0.80 HRH3 (0.41) HRH3SLC6A4
SCHEMBL18170287 0.80 HRH3 (0.45) ESR1HRH3DRD2DRD1DRD4
SCHEMBL26031470 0.74 NAAA (0.39) ESR1HRH3SLC6A4
SCHEMBL20569858 0.74 DUT (0.40) ESR1HRH3
SCHEMBL20447842 0.73 SLC6A4 (0.44) ESR1HRH3DRD2SLC6A4
SCHEMBL17736168 0.73 PSMB1 (0.51) ESR1HRH3
SCHEMBL14862790 0.72 CHRM3 (0.37) HRH3SLC6A4
SCHEMBL20205993 0.72 SLC6A4 (0.49) ESR1HRH3SLC6A4

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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2017-12-21 US disclosed
WO-2016174551-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-11-03 WO disclosed
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS PFIZER INC. (US) 2016-10-27 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-20170362210-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ESR1 1/4885HRH3 294/4885DRD2 1249/4885
US-20160311805-A1 ANTI-ESTROGENIC COMPOUNDS ESR1, ESRRA, ESR2 ESR1 1/4885HRH3 294/4885DRD2 1249/4885

“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.