SCHEMBL5653581

SCHEMBL5653581

O=C(Nc1ccccc1-c1ccccc1)NN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CHRM2 P08172 2/20 0.48
CHRM1 P11229 2/20 0.48
CHRM3 P20309 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C9 P11712 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL15007990 0.80 CCR3 (0.51) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL34420050 0.79 CA12 (0.64) ALDH1A1HTTCA12CA1CA2
Hydrochloric Acid SCHEMBL3950446 0.78 HDAC3 (0.50) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL11446077 0.77 NPC1 (0.50) HTTMAPTMEN1KMT2AGAA
SCHEMBL3759406 0.77 CDK4 (0.39) ALDH1A1SMN1; SMN2HTTMAPTGAA
SCHEMBL8961559 0.76 TP53 (0.57) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL17729939 0.76 HTT (0.61) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL4327883 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ACHRM2
SCHEMBL3455874 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL3759409 0.75 HTT (0.43) ALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208176-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-06 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-20070208176-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma ADRB2, ADRA2B, ADRB1 ALDH1A1 537/4885SMN1; SMN2 3760/4885HTT 3186/4885

“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.