SCHEMBL13044879

SCHEMBL13044879

N#CC(c1ccccc1F)N1CCN2CCC[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CCR5 P51681 1/20 0.39
ABCB1 P08183 1/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
POLB P06746 4/20 0.37
CHRM4 P08173 3/20 0.37
ALDH1A1 P00352 3/20 0.37
CHRM3 P20309 2/20 0.37
CHRM5 P08912 1/20 0.37
CACNA1H O95180 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL3637111 0.79 TSHR (0.38) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3639687 0.76 KMT2A (0.41) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3746272 0.73 MEN1 (0.46) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3743336 0.73 GHSR (0.48)
SCHEMBL3637387 0.73 MEN1 (0.46) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3636978 0.73 GHSR (0.48)
SCHEMBL3743771 0.72 KMT2A (0.43) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3637374 0.72 KMT2A (0.43) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3637676 0.72 CHRM2 (0.49) TSHRKMT2AMEN1CHRM2CHRM1
SCHEMBL3746508 0.72 CHRM2 (0.49) TSHRKMT2AMEN1CHRM2CHRM1

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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R TSHR 47/4885CCR5 3138/4885ABCB1 2178/4885

“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.