SCHEMBL5460656

SCHEMBL5460656

NC1CCN(c2ccc(C(=O)OCc3ccccc3)cc2F)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BCHE P06276 2/20 0.41
PRMT1 Q99873 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL5467892 0.99 SRD5A1 (0.46) SRD5A1SRD5A2MAPTLMNAALDH1A1
SCHEMBL14440621 0.85 SRD5A1 (0.45) SRD5A1SRD5A2MAPTLMNAALDH1A1
SCHEMBL8302624 0.85 SRD5A1 (0.47) SRD5A1SRD5A2MAPTLMNAALDH1A1
SCHEMBL14429621 0.81 GAA (0.45) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4858641 0.80 SRD5A1 (0.43) SRD5A1SRD5A2ALDH1A1KMT2ACYP2D6
SCHEMBL8302634 0.80 SRD5A1 (0.43) SRD5A1SRD5A2ALDH1A1KMT2ACYP2D6
SCHEMBL5461653 0.79 F10 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27594888 0.78 F10 (0.51) MAPTALDH1A1SMN1; SMN2KDM4ECYP2C19
Acetic Acid SCHEMBL5461640 0.78 GAA (0.45) MAPTLMNAALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6360601 0.77 F10 (0.50) MAPTALDH1A1SMN1; SMN2KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
US-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2007-08-30 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-20070203206-A1 2-Pyrrolidone Derivatives And Use Thereof As Factor Xa Inhibitors TFPI, F2, F12 SRD5A1 521/4885SRD5A2 466/4885MAPT 4144/4885

“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.