SCHEMBL8459936

SCHEMBL8459936

O=C(CNc1ccc(-c2ccc(F)cc2)nc1)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
KCNH2 Q12809 1/20 0.54
HTR4 Q13639 1/20 0.54
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
GRIN2B Q13224 3/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
GRM5 P41594 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8446323 0.99 ADRA2A (0.53) ADRA2AADRA2BKCNH2HTR4GAA
Trifluoroacetic Acid SCHEMBL3174860 0.93 ADRA2A (0.49) ADRA2AADRA2BKCNH2HTR4GAA
Trifluoroacetic Acid SCHEMBL3179359 0.92 EGLN1 (0.48) ADRA2AADRA2BKCNH2HTR4GAA
SCHEMBL8460600 0.82 GRIN2B (0.47) GAAHPGDRAB9AALDH1A1GRIN2B
SCHEMBL8459487 0.77 HPGD (0.53) GAAHPGDRAB9AALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL3174133 0.77 GRIN2B (0.46) RAB9AALDH1A1GRIN2BNPC1
SCHEMBL3179153 0.76 KMT2A (0.52) GAAHPGDRAB9AALDH1A1HDAC1
Trifluoroacetic Acid SCHEMBL3179461 0.74 PTPN1 (0.51) ADRA2AADRA2BKCNH2HTR4PTPN1
SCHEMBL8452347 0.73 KMT2A (0.52) GAAHPGDRAB9AALDH1A1HDAC1
SCHEMBL3170135 0.72 PTPN1 (0.49) ADRA2AADRA2BKCNH2HTR4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 ADRA2A 554/4885ADRA2B 674/4885KCNH2 2843/4885

“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.