SCHEMBL3557930

SCHEMBL3557930

CN1CCN(c2ccncc2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
DRD2 P14416 1/20 0.44
ACVR1 Q04771 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
ROCK2 O75116 1/20 0.40
CHKA P35790 1/20 0.38
EED O75530 1/20 0.38
BCHE P06276 1/20 0.37
HPGD P15428 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
USP2 O75604 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
AURKA O14965 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36

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
SCHEMBL156594 0.81 NPC1 (0.55) SLC6A2SLC6A4DRD2L3MBTL1HPGD
SCHEMBL853431 0.80 MAPT (0.53) SLC6A2SLC6A4L3MBTL1HPGDUSP2
SCHEMBL8340776 0.80 L3MBTL1 (0.56) SLC6A2SLC6A4DRD2L3MBTL1HPGD
SCHEMBL18502885 0.79 SLC6A2 (0.47) SLC6A2SLC6A4ACVR1L3MBTL1TLR7
SCHEMBL15765651 0.79 SLC6A2 (0.49) SLC6A2SLC6A4DRD2L3MBTL1HPGD
SCHEMBL12499505 0.79 SLC6A2 (0.49) SLC6A2SLC6A4ACVR1L3MBTL1HPGD
SCHEMBL22121727 0.79 SLC6A2 (0.45) SLC6A2SLC6A4ACVR1L3MBTL1HPGD
SCHEMBL157609 0.79 SLC6A2 (0.56) SLC6A2SLC6A4DRD2L3MBTL1
SCHEMBL12499581 0.79 SLC6A2 (0.49) SLC6A2SLC6A4L3MBTL1HPGDHRH3
SCHEMBL14570546 0.76 POLB (0.50) SLC6A2SLC6A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-20060160821-A1 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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 (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-20060160821-A1 Ureas as factor Xa inhibitors TFPI, F12, F11 SLC6A2 2071/4885SLC6A4 2469/4885DRD2 4681/4885

“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.