SCHEMBL18239783

SCHEMBL18239783

COc1ncc(OCCOc2ccc3[nH]c(C)c(CCN)c3c2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.62
HTR6 P50406 3/20 0.62
TRPM8 Q7Z2W7 1/20 0.54
HTR7 P34969 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR3A P46098 1/20 0.46
HTR1A P08908 2/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1E P28566 1/20 0.46
HTR5A P47898 1/20 0.46
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
AKR1C2 P52895 1/20 0.41

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
SCHEMBL18235623 0.88 HTR1D (0.59) HTR1DHTR6TRPM8HTR7TDP1
SCHEMBL18239808 0.83 MTNR1A (0.53) HTR1DHTR6TDP1MTNR1AMTNR1B
SCHEMBL18222556 0.78 HTR1D (0.63) HTR1DHTR6TRPM8HTR7TDP1
SCHEMBL4244966 0.78 HTR1D (1.00) HTR1DHTR6TRPM8HTR7TDP1
Hydrochloric Acid SCHEMBL7433474 0.77 HTR1D (0.97) HTR1DHTR6TRPM8HTR7TDP1
SCHEMBL5800700 0.76 HTR1D (0.74) HTR1DHTR6TRPM8HTR7TDP1
Cyanide SCHEMBL28561862 0.75 HTR1D (0.92) HTR1DHTR6TRPM8HTR7TDP1
SCHEMBL18222554 0.74 HTR1D (0.57) HTR1DHTR6TRPM8HTR7TDP1
SCHEMBL23181347 0.71 TRPM8 (1.00) HTR1DHTR6TRPM8HTR7TDP1
SCHEMBL29751588 0.71 TRPM8 (1.00) HTR1DHTR6TRPM8HTR7TDP1

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-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US disclosed
EP-3095781-A1 INDOLE COMPOUND Astellas Pharma Inc. (JP) 2016-11-23 EP disclosed
US-20160332966-A1 INDOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2016-11-17 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 (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-20160332966-A1 INDOLE COMPOUND MTNR1A, MTNR1B, IDO2 HTR1D 300/4885HTR6 129/4885TRPM8 97/4885

“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.