SCHEMBL5548732

SCHEMBL5548732

N[C@@H]1CC[C@H](CSc2nc3ccccc3[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 2/20 0.56
BCHE P06276 1/20 0.54
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2E1 P05181 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 1/20 0.49
KMT2A Q03164 2/20 0.48
AR P10275 1/20 0.48

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
SCHEMBL31325567 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE
SCHEMBL31325565 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE
SCHEMBL31325574 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE
SCHEMBL5549207 0.72 POLB (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE
SCHEMBL11475158 0.71 BCHE (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE
SCHEMBL6530086 0.70 BCHE (0.83) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE
SCHEMBL5548257 0.70 AGTR2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1GRIN2A
SCHEMBL5548726 0.70 AGTR2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1GRIN2A
SCHEMBL5543174 0.70 AGTR2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1GRIN2A
SCHEMBL25319924 0.70 CYP1A2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1BCHE

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
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 US claimed
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US disclosed
US-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2005-09-01 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-20050192324-A1 Novel dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof DPP4, DPP3, DPP7 RAB9A 3132/4885NPC1 998/4885SMN1; SMN2 3899/4885

“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.