SCHEMBL3448485

SCHEMBL3448485

O=C(O)[C@@H]1CC(Oc2ccccc2)CN1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
GRIK1 P39086 4/20 0.50
GRIA2 P42262 4/20 0.50
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HRH1 P35367 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL13584955 1.00 HRH3 (0.54) HRH3GRIK1GRIA2SLC6A4SLC6A2
SCHEMBL29380816 1.00 HRH3 (0.54) HRH3GRIK1GRIA2SLC6A4SLC6A2
SCHEMBL6943424 1.00 HRH3 (0.54) HRH3GRIK1GRIA2SLC6A4SLC6A2
SCHEMBL3448482 1.00 HRH3 (0.54) HRH3GRIK1GRIA2SLC6A4SLC6A2
SCHEMBL3180028 1.00 HRH3 (0.54) HRH3GRIK1GRIA2SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL25363703 0.98 HRH3 (0.53) HRH3GRIK1GRIA2SLC6A4SLC6A2
SCHEMBL3180040 0.91 GRIK1 (0.49) HRH3GRIK1GRIA2
SCHEMBL11249221 0.91 GRIK1 (0.49) HRH3GRIK1GRIA2
Proline SCHEMBL3459060 0.89 HRH3 (0.55) HRH3GRIK1GRIA2
SCHEMBL464484 0.87 HRH3 (0.52) HRH3GRIK1GRIA2SLC6A4SLC6A2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325943-A HYPOTENSIVE AGENTS, DIURETICS E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US claimed
US-4284624-A HYPOTENSIVE PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1981-08-18 US claimed
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed
US-4325945-A Mixed disulfides E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US disclosed
US-4325943-A HYPOTENSIVE AGENTS, DIURETICS E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US disclosed
US-4325944-A HYPOTENSIVE AGENTS, DIURETICS E. R. SQUIBB & SONS, INC. (US) 1982-04-20 US disclosed
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed
US-4284624-A HYPOTENSIVE PEPTIDES E. R. SQUIBB & SONS, INC. (US) 1981-08-18 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 (3 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 HRH3 28/4885GRIK1 672/4885GRIA2 1636/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 HRH3 67/4885GRIK1 4845/4885GRIA2 4549/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP HRH3 2060/4885GRIK1 1874/4885GRIA2 1323/4885

“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.