SCHEMBL229138

SCHEMBL229138

c1cnnc(N2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR2 P34972 6/20 0.46
SLC6A7 Q99884 1/20 0.46
HTT P42858 2/20 0.45
LRRK2 Q5S007 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL31005942 0.82 SLC6A7 (0.49) CNR2SLC6A7ALDH1A1KDM4EHSD17B10
SCHEMBL12607645 0.82 SLC6A7 (0.49) CNR2SLC6A7ALDH1A1KDM4EHSD17B10
SCHEMBL1834829 0.80 CYP1A2 (0.50) CNR2SLC6A7ALDH1A1HPGDMAPK1
SCHEMBL5754979 0.79 ALDH1A1 (0.61) MEN1NPC1RAB9AKMT2ACNR2
SCHEMBL2102567 0.78 SLC6A7 (0.47) MEN1KMT2ASLC6A7MAPTNPSR1
SCHEMBL2001725 0.78 SLC6A7 (0.47) MEN1KMT2ASLC6A7MAPTNPSR1
SCHEMBL27040079 0.78 ALDH1A1 (0.48) NPC1RAB9AKMT2ASLC6A7HTT
SCHEMBL29999093 0.77 PLD1 (0.59) SLC6A7HTTALDH1A1KDM4EHSD17B10
SCHEMBL907776 0.77 HTT (0.44) MEN1NPC1RAB9AKMT2ACNR2
SCHEMBL9557856 0.77 HTR3A (0.53) SLC6A7ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163380-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-08 WO claimed
CN-102234286-A Condensed heteroaryl derivatives ALLIST PHARMACEUTICALS INC 2011-11-09 CN claimed
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP claimed
WO-2024133200-A1 P2X3 RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2024-06-27 WO disclosed
EP-4323351-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER A2A Pharmaceuticals, Inc. (US) 2024-02-21 EP disclosed
CN-117460724-A Compositions and methods for treating cancer A2A制药有限公司 2024-01-26 CN disclosed
WO-2022221194-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER A2A PHARMACEUTICALS, INC. (US) 2022-10-20 WO disclosed
EP-2057133-B1 DI-AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-08-20 EP disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
CN-102234286-A Condensed heteroaryl derivatives ALLIST PHARMACEUTICALS INC 2011-11-09 CN disclosed
EP-1266651-B1 UV absorbing and photostabilizing agents and compositions and external preparation for skin SHISEIDO CO LTD (JP) 2006-09-06 EP disclosed
US-6676932-B2 CONTAINING PYRIDAZINE DERIVATIVE SUNSCREEN AGENT SHISEIDO CO., LTD. (JP) 2004-01-13 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C MEN1 3878/4885NPC1 4131/4885RAB9A 971/4885

“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.