SCHEMBL20354513

SCHEMBL20354513

c1ccc2c(c1)CCN(C1CC1)CC2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.58
HRH3 Q9Y5N1 5/20 0.53
SLC18A3 Q16572 1/20 0.52
KCNH2 Q12809 1/20 0.50
CHRNA7 P36544 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL5462211 0.91 SLC18A3 (0.58) GRIN2BHRH3SLC18A3KCNH2CHRNA7
SCHEMBL3089329 0.91 HRH3 (0.61) GRIN2BHRH3SLC18A3KCNH2CHRNA7
SCHEMBL28286738 0.89 SLC18A3 (0.61) GRIN2BHRH3SLC18A3KCNH2CHRNA7
SCHEMBL12826402 0.86 SLC18A3 (0.53) GRIN2BHRH3SLC18A3KCNH2CHRNA7
SCHEMBL12670642 0.82 GRIN2B (0.65) GRIN2BHRH3CHRNA7OPRM1OPRK1
SCHEMBL10263767 0.81 SLC18A3 (0.67) GRIN2BHRH3SLC18A3KCNH2CHRNA7
SCHEMBL8569045 0.81 GRIN2B (0.59) GRIN2BHRH3KCNH2OPRM1OPRD1
SCHEMBL13468211 0.80 GRIN2B (0.62) GRIN2BSLC18A3OPRM1OPRK1OPRL1
SCHEMBL4486847 0.80 CHRNA7 (0.59) GRIN2BHRH3SLC18A3CHRNA7OPRM1
SCHEMBL27781945 0.80 SLC18A3 (0.65) HRH3SLC18A3KCNH2OPRM1OPRD1

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-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
WO-2018124001-A1 BMP-SIGNAL-INHIBITING COMPOUND 国立研究開発法人理化学研究所 2018-07-05 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 (2 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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 GRIN2B 3745/4885HRH3 4122/4885SLC18A3 4845/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 GRIN2B 3951/4885HRH3 2691/4885SLC18A3 4848/4885

“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.