SCHEMBL2014732

SCHEMBL2014732

Cc1ccc(N)c(CCN)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.67
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 2/20 0.49
HTR1D P28221 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.40
CA1 P00915 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TSHR P16473 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL414579 0.83 TDP1 (0.50) TAAR1TDP1ALOX15TP53CYP3A4
SCHEMBL1352508 0.82 TDP1 (0.54) TAAR1TDP1ALOX15TP53CYP3A4
SCHEMBL7398269 0.81 TDP1 (0.48) TAAR1TDP1ALOX15TP53CYP3A4
SCHEMBL1173554 0.81 ALOX15 (0.48) TAAR1TDP1ALOX15TP53CYP3A4
Ammonia Solution, Strong SCHEMBL3634662 0.81 TDP1 (0.48) TAAR1TDP1ALOX15TP53CYP3A4
Hydrochloric Acid SCHEMBL27848958 0.80 TDP1 (0.52) TAAR1TDP1ALOX15TP53CYP3A4
SCHEMBL1869457 0.80 TAAR1 (1.00) TAAR1TDP1HTR2AHTR1DCYP1A2
SCHEMBL12463289 0.79 ALOX15 (0.56) TAAR1TDP1ALOX15TP53CYP3A4
SCHEMBL18469203 0.79 TAAR1 (0.40) TAAR1TDP1ALOX15CYP3A4THRB
SCHEMBL4455067 0.79 SKP2 (0.52) TAAR1TDP1ALOX15TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-6300501-B1 Histidine-(N-benzyl glycinamide) inhibitors of protein farnesyl transferase WARNER-LAMBERT COMPANY 2001-10-09 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT TAAR1 124/4885TDP1 557/4885ALOX15 533/4885

“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.