SCHEMBL6475010

SCHEMBL6475010

NC(=O)N1CCN(Cc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.60
CYP2A13 Q16696 2/20 0.57
FAAH O00519 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 2/20 0.50
CXCR4 P61073 1/20 0.49
NPC1 O15118 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45

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 SCHEMBL28808559 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ECYP2A13FAAHMEN1
SCHEMBL20036088 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBCYP2A13FAAH
SCHEMBL2107499 0.77 ALDH1A1 (0.96) ALDH1A1KDM4EPOLBCYP2A13MEN1
SCHEMBL18753626 0.76 KDM4E (0.70) ALDH1A1KDM4EPOLBCYP2A13RAB9A
SCHEMBL29941203 0.76 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBCYP2A13RAB9A
SCHEMBL29087431 0.76 KDM4E (0.64) ALDH1A1KDM4EPOLBCYP2A13MEN1
SCHEMBL4036908 0.75 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBCYP2A13MEN1
SCHEMBL17962428 0.74 KDM4E (0.72) ALDH1A1KDM4EPOLBCYP2A13MEN1
SCHEMBL3222136 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EFAAHMEN1KMT2A
SCHEMBL30965800 0.74 DRD2 (0.58) HTR1AHTR2AHTR7HTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916812-B2 Dietetic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20030232807-A1 Alpha-aminoamide derivatives as melanocortin agonists POINDEXTER GRAHAM S (US) 2003-12-18 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-20030232807-A1 Alpha-aminoamide derivatives as melanocortin agonists MC1R, MC5R, MC4R ALDH1A1 2808/4885KDM4E 2608/4885POLB 3800/4885

“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.