SCHEMBL1421072

SCHEMBL1421072

N[C@H](Cc1csc2ccccc12)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
DPP4 P27487 2/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MPO P05164 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
OPRD1 P41143 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50

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
SCHEMBL514508 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL29373380 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL514509 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL2466886 1.00 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9MAPT
Hydrochloric Acid SCHEMBL31036845 0.98 CYP2A6 (0.53) CYP2A6DPP4DPP8DPP9MAPT
Hydrochloric Acid SCHEMBL4903646 0.98 CYP2A6 (0.53) CYP2A6DPP4DPP8DPP9MAPT
Hydrochloric Acid SCHEMBL4903643 0.98 CYP2A6 (0.53) CYP2A6DPP4DPP8DPP9MAPT
Trifluoroacetic Acid SCHEMBL6161392 0.92 DPP4 (0.48) CYP2A6DPP4DPP8DPP9MAPT
SCHEMBL28905932 0.88 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9OPRD1
SCHEMBL14401103 0.88 CYP2A6 (0.54) CYP2A6DPP4DPP8DPP9OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748183-B1 POTENT LIGANDS OF THE GHRELIN RECEPTOR UNIV LEIPZIG (DE) 2018-12-26 EP claimed
US-9718861-B2 Potent ligands of the ghrelin receptor UNIVERSITAET LEIPZIG (DE) 2017-08-01 US claimed
US-20160022636-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US claimed
EP-2968240-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP claimed
US-20150274781-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR UNIVERSITAET LEIPZIG (DE) 2015-10-01 US claimed
US-20140336216-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US claimed
WO-2014152917-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO claimed
EP-2748183-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR Universität Leipzig (DE) 2014-07-02 EP claimed
WO-2013026927-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR UNIVERSITÄT LEIPZIG (DE) 2013-02-28 WO claimed
EP-2562181-A1 Potent ligands of the ghrelin receptor Universität Leipzig (DE) 2013-02-27 EP claimed
US-20050186289-A1 Regulation of T cell-mediated immunity by D isomers of inhibitors of indoleamine-2,3-dioxygenase MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2005-08-25 US claimed
EP-0699074-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-11-13 EP claimed
EP-0699074-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 1998-03-11 EP claimed
US-5672582-A ANTICOAGULANTS; 4-SUBSTITUTED CYCLOHEXYLAMINE DERIVATIVES MERCK & CO., INC. (US) 1997-09-30 US claimed
WO-1996011697-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1996-04-25 WO claimed
EP-0699074-A1 THROMBIN INHIBITORS MERCK & CO. INC. (US) 1996-03-06 EP claimed
WO-1994025051-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1994-11-10 WO claimed
US-20250325469-A1 Inhibitors of atp synthase - cosmetic and therapeutic uses FORREST MICHAEL DAVID (GB) 2025-10-23 US disclosed
EP-0460679-A2 Endothelin antagonistic peptide derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-12-11 EP disclosed
EP-0436189-A1 Endothelin atagonistic cyclic pentapeptides BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-07-10 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 (2 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-20250325469-A1 Inhibitors of atp synthase - cosmetic and therapeutic uses ATP5F1A, ATP5F1B, ATP5ME CYP2A6 3981/4885DPP4 3288/4885DPP8 2655/4885
US-20150274781-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR GIPR, GPR119, GRPR CYP2A6 3651/4885DPP4 600/4885DPP8 574/4885

“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.