SCHEMBL22017306

SCHEMBL22017306

CCCCCC(C)(C)C(C)(C)CC(C)(C)c1nc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ BCHE P06276 1/20 0.44
▸ TRPC3 Q13507 1/20 0.44
▸ TRPC4 Q9UBN4 1/20 0.44
▸ TRPC5 Q9UL62 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DDAH1 O94760 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41
▸ DAGLA Q9Y4D2 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL14361831 0.86 NPSR1 (0.49) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL14361622 0.83 NPSR1 (0.51) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL22926257 0.80 NPSR1 (0.54) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL22016725 0.78 NPSR1 (0.56) NPSR1RAB9ANPC1BCHEALDH1A1
SCHEMBL13073559 0.77 NPSR1 (0.58) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL14361782 0.75 NPSR1 (0.49) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL14361607 0.74 NPSR1 (0.54) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL27484748 0.73 NPSR1 (0.50) NPSR1RAB9ANPC1BCHETRPC3
SCHEMBL20476291 0.73 NPSR1 (0.53) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5626454 0.72 SPHK2 (0.50) NPSR1RAB9ANPC1BCHETRPC3

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-10981899-B2 Inhibitors of soluble adenylyl cyclase CORNELL UNIVERSITY (US) 2021-04-20 — — US disclosed
US-20200157084-A1 INHIBITORS OF SOLUBLE ADENYLYL CYCLASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-05-21 — — 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 (2 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-10981899-B2 Inhibitors of soluble adenylyl cyclase PDE7A, PDE6C, ADCYAP1R1 NPSR1 3082/4885RAB9A 1285/4885NPC1 3401/4885
US-20200157084-A1 INHIBITORS OF SOLUBLE ADENYLYL CYCLASE PDE7A, PDE6C, PDE8B NPSR1 3616/4885RAB9A 1371/4885NPC1 3345/4885

“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.

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