SCHEMBL18769860

SCHEMBL18769860

CC(Cc1ccc2ccccc2c1)NCc1ccc(O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.62
SIGMAR1 Q99720 4/20 0.57
HTR2A P28223 2/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
MAPK1 P28482 4/20 0.46
CYP3A4 P08684 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
MC4R P32245 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL23023142 0.89 SIGMAR1 (0.69) ADRB2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL18769852 0.86 SIGMAR1 (0.69) ADRB2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6186659 0.83 SIGMAR1 (0.79) ADRB2SIGMAR1MAPK1CYP3A4CYP2D6
SCHEMBL10005270 0.83 SIGMAR1 (0.79) ADRB2SIGMAR1MAPK1CYP3A4CYP2D6
SCHEMBL18769840 0.82 ADRB2 (0.81) ADRB2HTR2AMAPK1CYP3A4NPSR1
SCHEMBL18769854 0.82 ADRB2 (0.55) ADRB2SIGMAR1HTR2AHTR2CHTR2B
Bromide SCHEMBL11717838 0.81 SIGMAR1 (0.77) ADRB2SIGMAR1MAPK1CYP3A4NPSR1
SCHEMBL8587899 0.78 LMNA (0.71) ADRB2SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL18769895 0.77 ADRB2 (0.58) ADRB2SIGMAR1MAPK1POLBOPRD1
SCHEMBL20180473 0.77 ADRB2 (1.00) ADRB2HTR2AMAPK1CYP3A4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US claimed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP claimed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO claimed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US disclosed
US-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2019-11-07 US disclosed
EP-3371181-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES Onco Therapies LLC (US) 2018-09-12 EP disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO disclosed
WO-2017070052-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES ONCO THERAPIES LLC (US) 2017-04-27 WO 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-20190337889-A1 COMPOSITIONS AND METHODS OF REGULATING CANCER RELATED DISORDERS AND DISEASES BRCA1, VHL, TP53 ADRB2 4152/4885SIGMAR1 4450/4885HTR2A 3785/4885

“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.