SCHEMBL17134643

SCHEMBL17134643

O=C(O)N1CC2CN(c3ccc(F)cc3)CC2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 3/20 0.44
AKR1C3 P42330 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL25389906 1.00 NOTUM (0.51) NOTUMCA12CA1CA2CA9
SCHEMBL25390551 1.00 NOTUM (0.51) NOTUMCA12CA1CA2CA9
SCHEMBL14060380 0.83 GFER (0.47) NOTUMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL20510814 0.83 AKR1C3 (0.44) ALDH1A1LMNASMN1; SMN2AKR1C3TSHR
SCHEMBL23701365 0.83 AKR1C3 (0.44) NOTUMALDH1A1GAAAKR1C3USP2
SCHEMBL22804923 0.83 AKR1C3 (0.44) NOTUMALDH1A1GAAAKR1C3USP2
SCHEMBL30297573 0.79 CHRM1 (0.50) TSHRCHRM1
SCHEMBL25389457 0.79 CACNA1B (0.47) NOTUM
SCHEMBL25387175 0.79 CACNA1B (0.47) NOTUM
SCHEMBL25391320 0.79 CACNA1B (0.47) NOTUM

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
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9701689-B2 Substituted pyridines and pyridazines as CCR10 receptor inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2017-07-11 US disclosed
US-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-22 US disclosed
EP-2927214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2015-10-07 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 (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-20150299214-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND ARG1, H1-0, TYR NOTUM 2299/4885CA12 1854/4885CA1 2565/4885

“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.