SCHEMBL17107331

SCHEMBL17107331

CCCCCNN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.62
GNAO1 P09471 1/20 0.62
GNAI1 P63096 1/20 0.62
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
DPP4 P27487 3/20 0.34
NAAA Q02083 1/20 0.32
THRB P10828 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32

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
SCHEMBL3113034 0.98 GNAI3 (0.60) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL8424808 0.98 GNAI3 (0.66) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL6391709 0.98 GNAI3 (0.66) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL9598276 0.98 GNAI3 (0.66) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL11179091 0.98 GNAI3 (0.66) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL9441284 0.96 GNAI3 (0.63) GNAI3GNAO1GNAI1TSHRALDH1A1
Bromide SCHEMBL28400706 0.96 GNAI3 (0.63) GNAI3GNAO1GNAI1TSHRALDH1A1
Hydrochloric Acid SCHEMBL28332000 0.96 GNAI3 (0.69) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL10740911 0.96 GNAI3 (0.63) GNAI3GNAO1GNAI1TSHRALDH1A1
Bromide SCHEMBL28709122 0.94 GNAI3 (0.61) GNAI3GNAO1GNAI1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2015-10-01 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-20150274700-A2 DIAMINOPYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF HRH2, GIPR, SSTR4 GNAI3 926/4885GNAO1 805/4885GNAI1 1153/4885

“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.