SCHEMBL3195652

SCHEMBL3195652

CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2cccnc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
BTK Q06187 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
JAK1 P23458 1/20 0.43
DRD3 P35462 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
METAP1 P53582 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
SCHEMBL3195662 1.00 LMNA (0.44) LMNABTKHTTSMN1; SMN2DRD2
SCHEMBL15223275 0.81 BTK (0.43) BTKHTTKDM1AMAOBJAK1
SCHEMBL18216429 0.80 GSK3B (0.51) BTKDRD2KDM1AMAOBJAK1
SCHEMBL4180056 0.80 POLB (0.50) BTKDRD2KDM1AMAOBRET
SCHEMBL13929047 0.80 POLB (0.50) BTKDRD2KDM1AMAOBRET
SCHEMBL1699207 0.80 ATR (0.56) LMNAHTTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL29439709 0.80 ATR (0.56) LMNAHTTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL3576223 0.79 KDM4D (0.46) BTKDRD2KDM1AMAOBJAK1
SCHEMBL3576222 0.79 KDM4D (0.46) BTKDRD2KDM1AMAOBJAK1
SCHEMBL26226158 0.77 CDK9 (0.42) BTKDRD2KDM1AMAOBJAK1

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 LMNA 3482/4885BTK 560/4885HTT 1354/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 LMNA 3502/4885BTK 698/4885HTT 1427/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 LMNA 3030/4885BTK 637/4885HTT 1701/4885

“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.