SCHEMBL5874147

SCHEMBL5874147

NCC1(c2ccncc2)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
DPP4 P27487 1/20 0.38
CYP2D6 P10635 7/20 0.37
HPGD P15428 1/20 0.36
SLC6A3 Q01959 9/20 0.36
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 5/20 0.34
HTR2A P28223 1/20 0.34
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTPN11 Q06124 1/20 0.33

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 SCHEMBL5874296 0.98 MAOA (0.39) MAOAMAOBTAAR1DPP4CYP2D6
Hydrochloric Acid SCHEMBL5874165 0.98 MAOA (0.39) MAOAMAOBTAAR1DPP4CYP2D6
SCHEMBL10566468 0.82 MAOA (0.62) MAOAMAOBTAAR1DPP4CYP2D6
SCHEMBL6990421 0.80 SLC6A2 (0.49) CYP2D6HPGDSLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5874198 0.80 OPRL1 (0.40) MAOAMAOBTAAR1DPP4CYP2D6
Hydrochloric Acid SCHEMBL5874180 0.80 OPRL1 (0.40) MAOAMAOBTAAR1DPP4CYP2D6
SCHEMBL5842924 0.79 MAOA (0.61) MAOAMAOBTAAR1DPP4SLC6A3
Hydrochloric Acid SCHEMBL5874080 0.78 SLC6A4 (0.41) CYP2D6HPGDSLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5874050 0.78 SLC6A4 (0.41) CYP2D6HPGDSLC6A3SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL16292103 0.77 MAOA (0.59) MAOAMAOBTAAR1DPP4SLC6A3

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 MAOA 2610/4885MAOB 2300/4885TAAR1 1780/4885

“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.