SCHEMBL1075748

SCHEMBL1075748

Cc1ccn(CCN(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.42
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
KDM1A O60341 1/20 0.37
BRD4 O60885 1/20 0.37
DRD2 P14416 1/20 0.37
HRH1 P35367 1/20 0.37
THRB P10828 1/20 0.37
GAA P10253 1/20 0.36
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
GFER P55789 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS1 P29475 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
SCHEMBL753436 0.78 ALDH1A1 (0.42) NR5A2HTR2AHTR2CKDM1ABRD4
SCHEMBL29876514 0.78 HTR2C (0.39) NR5A2HTR2AHTR2CKDM1ABRD4
SCHEMBL26754918 0.77 KDM1A (0.39) NR5A2HTR2AHTR2CKDM1ABRD4
SCHEMBL23773672 0.77 NR5A2 (0.38) NR5A2HTR2AHTR2CKDM1ABRD4
SCHEMBL293669 0.77
SCHEMBL15133213 0.76 NR5A2 (0.37) NR5A2HTR2AHTR2CKDM1ABRD4
SCHEMBL984869 0.75
SCHEMBL1780286 0.75
SCHEMBL10049904 0.75
SCHEMBL28175220 0.73 NPC1 (0.53) NR5A2HTR2AHTR2CKDM1ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP claimed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 WO claimed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
EP-2807166-B1 5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLINES AS IGF-1R/IR INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-04-06 EP disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20130190305-A1 NEW 5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLINES AS IGF-1R/IR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 US disclosed
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-10-27 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US disclosed
EP-2274302-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2011-01-19 EP disclosed
US-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US disclosed
US-20100190980-A1 PYRAZINAMIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2010-07-29 US disclosed
WO-2009123948-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-10-08 WO 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 (5 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 NR5A2 1828/4885HTR2A 1329/4885HTR2C 1253/4885
US-20100190980-A1 PYRAZINAMIDE COMPOUND KAT8, GK, KCNJ8 NR5A2 674/4885HTR2A 3131/4885HTR2C 3330/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 NR5A2 1828/4885HTR2A 1329/4885HTR2C 1253/4885
US-20110263610-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 NR5A2 3371/4885HTR2A 4524/4885HTR2C 4719/4885
US-20130190305-A1 NEW 5,8-DIHYDRO-6H-PYRAZOLO[3,4-H]QUINAZOLINES AS IGF-1R/IR INHIBITORS IGF1R, IGFBP1, INSR NR5A2 107/4885HTR2A 1015/4885HTR2C 952/4885

“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.