SCHEMBL3208483

SCHEMBL3208483

N[C@H]1CC[C@H](c2nc3cccnc3s2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.45
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 6/20 0.34
HTT P42858 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
PKM P14618 1/20 0.34
HCRTR1 O43613 1/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3208479 1.00 PDK1 (0.45) PDK1POLBMEN1KMT2ANPC1
SCHEMBL29393152 0.92 PDK1 (0.51) PDK1POLBMEN1KMT2ANPC1
SCHEMBL25607749 0.92 PDK1 (0.51) PDK1POLBMEN1KMT2ANPC1
SCHEMBL26488507 0.84 PDK1 (0.47) PDK1POLBMEN1KMT2ANPC1
SCHEMBL30995566 0.71 POLB (0.48) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL25232028 0.69 GPR119 (0.51) POLBALDH1A1HTTTSHRNPSR1
SCHEMBL29504546 0.68 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL137507 0.68 PDK1 (0.58) PDK1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9533470 0.66 KMT2A (0.77) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL31194795 0.66 PDK1 (0.56) PDK1POLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (3 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-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 PDK1 4618/4885POLB 3840/4885MEN1 2135/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 PDK1 4612/4885POLB 4084/4885MEN1 2246/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 PDK1 4601/4885POLB 3820/4885MEN1 2354/4885

“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.