SCHEMBL3760934

SCHEMBL3760934

CCOC(=O)C1CCN(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)n2C)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.53
ALDH1A1 P00352 5/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 3/20 0.50
LTA4H P09960 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EGFR P00533 1/20 0.47

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
SCHEMBL608528 0.78 ALDH1A1 (0.76) CCR8ALDH1A1KDM4EMAPTPKM
Hydrochloric Acid SCHEMBL7438287 0.77 ALDH1A1 (0.74) CCR8ALDH1A1KDM4EMAPTPKM
SCHEMBL8484919 0.76 LTA4H (0.61) CCR8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL3762996 0.75 ACHE (0.49) ALDH1A1KDM4E
SCHEMBL3317577 0.74 L3MBTL1 (0.71) CCR8ALDH1A1KDM4EMAPT
SCHEMBL1414283 0.74 ALDH1A1 (0.67) CCR8ALDH1A1NPC1RAB9AKDM4E
SCHEMBL7158829 0.73 CCR8 (0.76) CCR8ALDH1A1KDM4EMAPT
SCHEMBL1545229 0.71 L3MBTL1 (0.74) CCR8ALDH1A1KDM4EMAPT
SCHEMBL14022760 0.71 L3MBTL1 (0.74) CCR8ALDH1A1KDM4EMAPT
SCHEMBL8263564 0.71 L3MBTL1 (0.74) CCR8ALDH1A1KDM4EMAPT

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-1751101-B1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
US-7842812-B2 Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2010-11-30 US claimed
US-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2007-06-14 US claimed
US-7842812-B2 Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2010-11-30 US disclosed
US-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2007-06-14 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-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides AVPR2, GPR119, AVPR1B CCR8 1721/4885ALDH1A1 1027/4885NPC1 2758/4885

“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.