SCHEMBL3601637

SCHEMBL3601637

Cc1ccc2[nH]c(C(=O)N[C@H]3CCCN(C)C3)c(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.54
PTGS2 P35354 2/20 0.51
GHSR Q92847 4/20 0.48
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PBK Q96KB5 2/20 0.43
CHEK1 O14757 1/20 0.43
EGFR P00533 1/20 0.43
CDK2 P24941 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
KIF11 P52732 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41

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
SCHEMBL3613464 1.00 ADORA1 (0.54) ADORA1PTGS2GHSRRAB9AALDH1A1
SCHEMBL3601639 1.00 ADORA1 (0.54) ADORA1PTGS2GHSRRAB9AALDH1A1
SCHEMBL3602793 0.87 PTGS2 (0.52) PTGS2GHSRRAB9AALDH1A1SMN1; SMN2
SCHEMBL3605641 0.87 PTGS2 (0.52) PTGS2GHSRRAB9AALDH1A1SMN1; SMN2
SCHEMBL3602791 0.87 PTGS2 (0.52) PTGS2GHSRRAB9AALDH1A1SMN1; SMN2
SCHEMBL15506889 0.85 ADORA1 (0.68) ADORA1PTGS2RAB9AALDH1A1SMN1; SMN2
SCHEMBL3604137 0.80 ADORA1 (0.56) ADORA1PTGS2GHSRRAB9AALDH1A1
SCHEMBL3609782 0.80 ADORA1 (0.56) ADORA1PTGS2GHSRRAB9AALDH1A1
SCHEMBL3598892 0.80 ADORA1 (0.56) ADORA1PTGS2GHSRRAB9AALDH1A1
SCHEMBL3613589 0.80 MAOA (0.48) PTGS2ALDH1A1MEN1KMT2A

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT ADORA1 407/4885PTGS2 356/4885GHSR 2639/4885

“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.