SCHEMBL4418097

SCHEMBL4418097

CN(C)C1CCN(c2cc[c]c(C(=O)NCC3C4CN(C(=O)c5ccc(C(C)(C)C)cc5)CC34)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.39
HRH4 Q9H3N8 3/20 0.39
P2RX7 Q99572 2/20 0.38
NAPEPLD Q6IQ20 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 2/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
BTK Q06187 1/20 0.35
TSHR P16473 1/20 0.35
HDAC4 P56524 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4425062 0.93 TSHR (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4414867 0.88 GBA1 (0.36) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4415706 0.87 HPGD (0.44) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4413362 0.86 GAA (0.43) SMN1; SMN2ALDH1A1POLBRAB9ABTK
SCHEMBL4419305 0.85 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4414898 0.85 BTK (0.40) L3MBTL3SMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL4421392 0.84 HPGD (0.41) HRH3HRH4SMN1; SMN2ALDH1A1MAPK1
SCHEMBL4424740 0.83 HPGDS (0.37) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL4423656 0.83 BTK (0.39) L3MBTL3SMN1; SMN2ALDH1A1POLBRAB9A
SCHEMBL4415367 0.81 CACNA1H (0.38) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP claimed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 HRH3 459/4885HRH4 283/4885P2RX7 1150/4885

“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.