SCHEMBL6839730

SCHEMBL6839730

N#Cc1cccc(N2CCNCC2C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
NOTUM Q6P988 3/20 0.52
ALOX5 P09917 1/20 0.42
HTR2C P28335 4/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
NSD2 O96028 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL6985886 0.84 NOTUM (0.60) DRD2DRD3NOTUMALOX5NSD2
SCHEMBL8247558 0.83 OPRM1 (0.44) DRD2DRD3HTR2CHTR2AHTR2B
SCHEMBL20140971 0.82 SLC6A2 (0.53) NOTUMHTR2CHTR2AHTR2BSLC6A2
SCHEMBL9396845 0.82 SLC6A2 (0.53) NOTUMHTR2CHTR2AHTR2BSLC6A2
SCHEMBL8248575 0.82 HTR7 (0.52) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL6988378 0.82 NOTUM (0.57) DRD2DRD3NOTUMALOX5
SCHEMBL14632427 0.82 NOTUM (0.57) DRD2DRD3NOTUMALOX5
Hydrochloric Acid SCHEMBL20140710 0.81 SLC6A2 (0.51) NOTUMHTR2CHTR2AHTR2BSLC6A2
SCHEMBL14632375 0.81 NOTUM (0.56) DRD2DRD3NOTUMALOX5
SCHEMBL6839819 0.81 NOTUM (0.56) DRD2DRD3NOTUMALOX5

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
CN-1496361-A Phenyl derivatives 3 Ĭ��ר���ɷ����޹�˾ 2004-05-12 CN disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 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-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 DRD2 3363/4885DRD3 2110/4885NOTUM 3173/4885

“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.