SCHEMBL4465080

SCHEMBL4465080

CCc1cc(I)ccc1OCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HRH1 P35367 3/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 2/20 0.48
DRD5 P21918 2/20 0.48
DRD3 P35462 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
DRD2 P14416 1/20 0.47
MCHR1 Q99705 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL4485184 0.86 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ETDP1MEN1KMT2A
SCHEMBL16979837 0.84 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EL3MBTL1TDP1MEN1
SCHEMBL15508836 0.83 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EL3MBTL1TDP1MEN1
SCHEMBL14970510 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EL3MBTL1TDP1MEN1
SCHEMBL14970722 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EMEN1KMT2ATSHR
SCHEMBL4477326 0.81 LTA4H (0.62) SMN1; SMN2KDM4ETDP1MCHR1LTA4H
SCHEMBL14970724 0.81 LTA4H (0.53) SMN1; SMN2KDM4EMCHR1LTA4HPOLB
Hydrochloric Acid SCHEMBL14966443 0.81 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMEN1KMT2ATSHR
SCHEMBL4524330 0.80 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL14966770 0.80 LTA4H (0.52) SMN1; SMN2KDM4ELTA4HPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 SMN1; SMN2 2309/4885KDM4E 2256/4885L3MBTL1 1955/4885

“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.