SCHEMBL4591966

SCHEMBL4591966

CCN(CC)CCOc1ccc(O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.56
BIRC5 O15392 1/20 0.50
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOB P27338 1/20 0.46
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7940396 0.84 HPGD (0.57) BIRC5KDM4ESMN1; SMN2MAOBNPC1
SCHEMBL3724251 0.82 CSNK2A1 (0.60) KDM4ESMN1; SMN2NPC1HPGDTSHR
SCHEMBL6142499 0.81 BIRC5 (0.50) KDRBIRC5KDM4ESMN1; SMN2NPC1
SCHEMBL3857536 0.81 MAOA (0.57) KDRBIRC5KDM4ESMN1; SMN2NPC1
SCHEMBL10709145 0.81 HSD17B10 (0.50) KDM4ENPC1HPGDRAB9AALDH1A1
Hydrochloric Acid SCHEMBL4009662 0.80 MAOA (0.56) KDRBIRC5KDM4ESMN1; SMN2TSHR
SCHEMBL4591809 0.80 KDM4E (0.54) KDRBIRC5KDM4ESMN1; SMN2ESR1
SCHEMBL3865120 0.79 CSNK2A1 (0.70) KDRBIRC5KDM4ESMN1; SMN2DRD2
SCHEMBL4010138 0.79 KDR (0.54) KDRBIRC5KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2220583 0.78 RORC (0.54) KDM4ESMN1; SMN2ESR1NPC1HPGD

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
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 KDR 3262/4885BIRC5 2273/4885KDM4E 1313/4885

“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.