SCHEMBL4421406

SCHEMBL4421406

CCc1ccc(C(=O)N2CC3C(CNc4ccc(N5CCOCC5)c(F)c4)C3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP30 Q70CQ3 3/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 3/20 0.42
ALOX15 P16050 2/20 0.42
RAB9A P51151 3/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
PTGS1 P23219 1/20 0.41
MAOB P27338 1/20 0.41
CALML3 P27482 1/20 0.41
SDHA P31040 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
SCHEMBL4415020 0.89 HTT (0.48) NPC1HTTLMNAHPGDSMN1; SMN2
SCHEMBL4421404 0.88 NPC1 (0.49) NPC1HTTLMNAHPGDSMN1; SMN2
SCHEMBL4417990 0.85 HTT (0.44) NPC1HTTLMNAHPGDSMN1; SMN2
SCHEMBL4412123 0.84 L3MBTL1 (0.41) NPC1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL4423693 0.82 MAPK1 (0.44) HTTLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL4413154 0.81 S1PR1 (0.41) NPC1HTTLMNAALDH1A1GAA
SCHEMBL4424986 0.81 USP30 (0.59) NPC1HTTLMNAHPGDSMN1; SMN2
SCHEMBL4421230 0.80 MAOA (0.44) NPC1HTTLMNAUSP30GAA
SCHEMBL4414369 0.79 L3MBTL1 (0.47) NPC1HTTLMNASMN1; SMN2ALDH1A1
SCHEMBL4152032 0.79 ABL1 (0.55) NPC1HTTLMNAHPGDSMN1; SMN2

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 8 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
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 EP disclosed
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP disclosed
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US disclosed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 NPC1 301/4885HTT 1090/4885LMNA 4565/4885

“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.