SCHEMBL18487331

SCHEMBL18487331

COc1ccc(-c2ccc(OCc3ccccc3)c(C)c2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.47
MAOB P27338 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TLR8 Q9NR97 1/20 0.44
FFAR1 O14842 2/20 0.44
MAPK1 P28482 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PPARD Q03181 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL20434617 0.86 MRGPRX4 (0.48) C5AR1MAOBMRGPRX4MAPTFFAR1
SCHEMBL9315251 0.81 MAOB (0.58) MAOBMRGPRX4MAPTABCB1HTR1A
SCHEMBL689377 0.81 MAPT (0.46) MRGPRX4MAPTFFAR1MAPK1ABCB1
Hydrochloric Acid SCHEMBL27830190 0.80 MAOB (0.57) MAOBMRGPRX4MAPTMAPK1FFAR4
SCHEMBL24728131 0.80 C5AR1 (0.48) C5AR1MAOBMAPTNPSR1MAPK1
SCHEMBL3915606 0.76 MAOB (0.58) MAOBMAPTABCB1HTR1ADRD2
SCHEMBL30189780 0.76 MAOB (0.58) MAOBMAPTABCB1HTR1ADRD2
SCHEMBL12667384 0.74 MRGPRX4 (0.60) MRGPRX4MAPTFFAR1MAPK1FFAR4
SCHEMBL3790941 0.74 MAPT (0.58) MAOBMAPTNPSR1MAPK1
SCHEMBL1026336 0.74 MAOB (0.54) C5AR1MAOBMAPTMAPK1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 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 (4 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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT C5AR1 2796/4885MAOB 2809/4885MRGPRX4 2885/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT C5AR1 2796/4885MAOB 2809/4885MRGPRX4 2885/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT C5AR1 2796/4885MAOB 2809/4885MRGPRX4 2885/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT C5AR1 2796/4885MAOB 2809/4885MRGPRX4 2885/4885

“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.