SCHEMBL4412102

SCHEMBL4412102

O=C(Nc1ccc(N2CCOCC2)c(F)c1)C1C2CN(S(=O)(=O)c3cccc4cnccc34)CC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CHRM1 P11229 7/20 0.48
P2RX7 Q99572 1/20 0.45
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
MAPT P10636 1/20 0.42
CYP3A4 P08684 2/20 0.42
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
PRKCA P17252 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCI P41743 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCZ Q05513 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKD1 Q15139 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL2179954 0.86 TP53 (0.53) HTTMAPT
SCHEMBL4412105 0.85 CHRM1 (0.45) HTTCHRM1P2RX7ROCK2ROCK1
SCHEMBL4423583 0.80 ALDH1A1 (0.49) HTTMAPTNPC1RAB9AKMT2A
SCHEMBL6509182 0.79 NAMPT (0.46) HTTMAPTNPC1RAB9AKMT2A
SCHEMBL4415375 0.79 HTT (0.53) HTTCYP3A4CYP2D6CYP1A2CYP2C19
SCHEMBL4417870 0.77 ALDH1A1 (0.53) HTTMAPTNPC1RAB9AKMT2A
SCHEMBL6501565 0.76 LMNA (0.48) HTTMAPTMTORNPC1RAB9A
SCHEMBL4552446 0.76 EPHX2 (0.47) HTTMAPTMTORKDM4ERAB9A
SCHEMBL4414453 0.76 EPHX2 (0.54) HTTKDM4ENPC1RAB9AKMT2A
SCHEMBL4425056 0.75 KMT2A (0.48) MAPTNPC1RAB9AKMT2A

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-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
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US 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 HTT 1090/4885CHRM1 215/4885P2RX7 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.