SCHEMBL4477130

SCHEMBL4477130

CCc1ccccc1OCCN1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.74
KDM4E B2RXH2 2/20 0.72
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
HRH1 P35367 7/20 0.68
DRD1 P21728 3/20 0.68
DRD4 P21917 3/20 0.68
DRD5 P21918 3/20 0.68
DRD3 P35462 3/20 0.68
DRD2 P14416 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP1A2 P05177 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TSHR P16473 1/20 0.60
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.56

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
Hydrochloric Acid SCHEMBL14966571 0.98 L3MBTL1 (0.72) L3MBTL1KDM4EMEN1KMT2AHRH1
SCHEMBL14970672 0.98 MEN1 (0.73) L3MBTL1KDM4EMEN1KMT2AHRH1
SCHEMBL14970678 0.98 MEN1 (0.73) L3MBTL1KDM4EMEN1KMT2AHRH1
Hydrochloric Acid SCHEMBL14969476 0.97 MEN1 (0.71) L3MBTL1KDM4EMEN1KMT2AHRH1
Hydrochloric Acid SCHEMBL30192529 0.97 MEN1 (0.71) L3MBTL1KDM4EMEN1KMT2AHRH1
Hydrochloric Acid SCHEMBL14966426 0.97 MEN1 (0.71) L3MBTL1KDM4EMEN1KMT2AHRH1
SCHEMBL14970699 0.86 HRH1 (0.66) L3MBTL1KDM4EMEN1KMT2AHRH1
SCHEMBL240294 0.86 DRD1 (0.71) L3MBTL1KDM4EMEN1KMT2ADRD1
Hydrochloric Acid SCHEMBL14966375 0.85 HRH1 (0.64) L3MBTL1KDM4EMEN1KMT2AHRH1
Hydrochloric Acid SCHEMBL14966707 0.85 DRD1 (0.69) L3MBTL1KDM4EMEN1KMT2ADRD1

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
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1737823-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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 L3MBTL1 1955/4885KDM4E 2256/4885MEN1 1312/4885

“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.