SCHEMBL7870187

SCHEMBL7870187

O=C(O)[C@H]1C[C@@H](c2ccccc2)CN1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 7/20 0.65
DPP4 P27487 3/20 0.52
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
RPS6KB1 P23443 1/20 0.44
F2 P00734 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
SCHEMBL197990 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL5201978 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL124005 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL20011747 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL199332 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL25396765 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL8512122 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
SCHEMBL197989 1.00 HDAC2 (0.65) HDAC2DPP4AKR1C3AKR1C1CYP1A2
Hydrochloric Acid SCHEMBL18094024 0.98 HDAC2 (0.63) HDAC2DPP4AKR1C3AKR1C1CYP1A2
Hydrochloric Acid SCHEMBL10461198 0.98 HDAC2 (0.63) HDAC2DPP4AKR1C3AKR1C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087094-B1 BETA-HAIRPIN PEPTIDOMIMETICS AS SELECTIVE ELASTASE INHIBITORS POLYPHOR AG (CH) 2022-06-01 EP disclosed
US-10301260-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20170081282-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-03-23 US disclosed
US-9284352-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2016-03-15 US disclosed
US-8895499-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2014-11-25 US disclosed
US-8865656-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-10-21 US disclosed
US-8716242-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2014-05-06 US disclosed
US-20130189363-A1 BETA-HAIRPIN PEPTIDOMIMETICS Universität Zürich (CH) 2013-07-25 US disclosed
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-11-08 US disclosed
US-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-05-31 US disclosed
CN-102344399-A Stereomers of (2S,4S)-4-phenylpyrrolidine-2-carboxylic acid and preparation method for salt thereof WUHAN QIRUI PHARMACEUTICALS CO LTD 2012-02-08 CN disclosed
US-6329502-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS; TREATMENT OF AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) JAPAN ENERGY CORPORATION (JP) 2001-12-11 US disclosed
US-6313094-B1 COMPOSITION FOR INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION JAPAN ENERGY CORPORATION (JP) 2001-11-06 US disclosed
EP-0490667-B1 HIV protease inhibitors JAPAN ENERGY CORP (JP) 1999-06-09 EP disclosed
EP-0490667-A2 HIV protease inhibitors JAPAN ENERGY CORPORATION (JP) 1992-06-17 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 (5 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-20120135942-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCR4, CXCL12, CXCR6 HDAC2 4384/4885DPP4 685/4885AKR1C3 3537/4885
US-20170081282-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 HDAC2 2730/4885DPP4 1321/4885AKR1C3 1963/4885
US-10301260-B2 Pyrrolidine GPR40 modulators GPR55, GPR65, GPR4 HDAC2 2730/4885DPP4 1321/4885AKR1C3 1963/4885
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCL12, CXCR4, CXCR1 HDAC2 4516/4885DPP4 768/4885AKR1C3 3688/4885
US-20130189363-A1 BETA-HAIRPIN PEPTIDOMIMETICS CUTA, COL14A1, PEPD HDAC2 4323/4885DPP4 376/4885AKR1C3 4451/4885

“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.