SCHEMBL2273553

SCHEMBL2273553

Cc1nsc(N2CCC(N)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
AKT2 P31751 1/20 0.37
TSHR P16473 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
MEN1 O00255 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR3A P46098 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SSTR2 P30874 1/20 0.36
CDK4 P11802 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Hydrochloric Acid SCHEMBL2275641 0.98 DPP4 (0.40) DPP4AKT2TSHRHTR3EMEN1
SCHEMBL13035720 0.84 SMN1; SMN2 (0.46) DPP4TSHRMEN1ALOX15NFKB1
SCHEMBL14308895 0.79 DPP4 (0.39) DPP4CYP2D6CDK4JAK2JAK1
SCHEMBL14917927 0.78 TSHR (0.35) AKT2TSHRHTR3EMEN1HTR3B
SCHEMBL14918536 0.78 DPP4 (0.44) DPP4AKT2TSHRHTR3EMEN1
SCHEMBL25261748 0.77 KDM4E (0.51) DPP4TSHRMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL14918065 0.77 DPP4 (0.43) DPP4AKT2TSHRHTR3EMEN1
SCHEMBL18952851 0.76 PSEN1 (0.43) DPP4JAK2JAK1PSEN1PSEN2
SCHEMBL21726814 0.76 PSEN1 (0.43) DPP4JAK2JAK1PSEN1PSEN2
SCHEMBL22916509 0.76 PSEN1 (0.43) DPP4JAK2JAK1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
CN-103025724-A Piperidine derivatives HOFFMANN LA ROCHE 2013-04-03 CN disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 DPP4 3572/4885AKT2 3048/4885TSHR 4608/4885

“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.