SCHEMBL774037

SCHEMBL774037

O=C(O)C1(C(=O)O)CCCN1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.39
ARG2 P78540 1/20 0.39
FFAR3 O14843 1/20 0.32
CYP2C19 P33261 1/20 0.30

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 SCHEMBL16993455 0.97 ARG1 (0.38) ARG1ARG2FFAR3
SCHEMBL3934353 0.92 ARG1 (0.34) ARG1ARG2FFAR3CYP2C19
SCHEMBL18076610 0.86 ARG1 (0.35) ARG1ARG2FFAR3
SCHEMBL18076611 0.86 ARG1 (0.35) ARG1ARG2FFAR3
SCHEMBL2900265 0.86 ARG1 (0.39) ARG1ARG2
SCHEMBL1234317 0.83 ARG1 (0.33) ARG1ARG2FFAR3
SCHEMBL5494842 0.81 ARG1 (0.33) ARG1ARG2
SCHEMBL30557677 0.81 ARG1 (0.36) ARG1ARG2
SCHEMBL8371988 0.80 FFAR3 (0.31) ARG1ARG2FFAR3
SCHEMBL8993303 0.80 FFAR3 (0.31) ARG1ARG2FFAR3

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
CN-109516942-A A kind of 4- methylene pyrrole alkane derivative and its synthetic method 中国药科大学 2019-03-26 CN claimed
WO-1997049725-A9 MODIFIED FACTOR VIII UNIV EMORY (US) 2005-11-17 WO claimed
CN-109516942-A A kind of 4- methylene pyrrole alkane derivative and its synthetic method 中国药科大学 2019-03-26 CN disclosed
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 US disclosed
EP-1561757-A1 Modified factor VIII EMORY UNIVERSITY (US) 2005-08-10 EP disclosed
US-5942537-A ADMINISTERING A L-TRANS PYRROLIDINE DERIVATIVE TO INHIBIT THE TRANSPORT OF L-GLUTAMATE OR L-ASPARTATE OR AN EXCITATORY AMINO ACID NEUROTRANSMITTER AWAY FROM A SYNAPSE COMPRISING CONTACTING SYNAPSE WITH PYRROLIDINE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-08-24 US disclosed
EP-0497895-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-08-12 EP disclosed
WO-1991006536-A1 METHOD OF INHIBITING THE TRANSPORT OF L-GLUTAMATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-05-16 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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A ARG1 3262/4885ARG2 3716/4885FFAR3 1348/4885

“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.