SCHEMBL3534470

SCHEMBL3534470

CC1(C)CC(=O)CCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.44
MAOA P21397 10/20 0.44
MAOB P27338 10/20 0.44
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SRD5A1 P18405 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL28901944 0.86 ALDH1A1 (0.35) KDM1AMAOAMAOBNPC1RAB9A
SCHEMBL9764987 0.81 KDM1A (0.47) KDM1AMAOAMAOBGAAMAPT
SCHEMBL7969974 0.75 MAPK1 (0.38) KDM1AMAOAMAOBDDB1CRBN
SCHEMBL8747222 0.72 KDM1A (0.54) KDM1AMAOAMAOB
SCHEMBL27545786 0.69 KDM1A (0.50) KDM1AMAOAMAOB
SCHEMBL4331068 0.69 KDM1A (0.67) KDM1AMAOAMAOB
SCHEMBL1365445 0.69 KDM1A (0.46) KDM1AMAOAMAOBMAPT
SCHEMBL6098218 0.69 PSEN1 (0.45) ALDH1A1
SCHEMBL3536966 0.69 KDM1A (0.42) KDM1AMAOAMAOB
SCHEMBL16612528 0.68 GRIN2B (0.43) KDM1AMAOARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 KDM1A 3407/4885MAOA 1270/4885MAOB 956/4885

“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.