SCHEMBL5874094

SCHEMBL5874094

NCC1(c2ccccn2)CCNC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.43
SLC6A2 P23975 6/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 5/20 0.43
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
PTPN11 Q06124 1/20 0.37
CYP3A4 P08684 3/20 0.37
USP2 O75604 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5874043 0.98 CYP2D6 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL21927029 0.90 ALDH1A1 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3OPRM1
Hydrochloric Acid SCHEMBL5874113 0.87 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL6997616 0.82 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL3892446 0.81 MAOA (0.50) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL27381576 0.81 CYP2D6 (0.40) CYP2D6SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL11972618 0.78 DPP4 (0.48) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20777704 0.78 DPP4 (0.53) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL20978162 0.78 ALDH1A1 (0.43) CYP2D6SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL6803003 0.77 DPP4 (0.52) SLC6A2SLC6A4SLC6A3OPRM1OPRL1

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-7012144-B2 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-14 US disclosed
US-20030130302-A1 Quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-07-10 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-20030130302-A1 Quinolone carboxylic acid derivatives CYCS, CBR3, HCCS CYP2D6 37/4885SLC6A2 3327/4885SLC6A4 3075/4885

“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.