SCHEMBL12717643

SCHEMBL12717643

CC1CN(C2CCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
DPP4 P27487 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
PHGDH O43175 1/20 0.31
MGLL Q99685 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
GFER P55789 1/20 0.30
SLC18A3 Q16572 1/20 0.30
GAA P10253 1/20 0.30
ACHE P22303 1/20 0.30
HTR6 P50406 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
SCHEMBL20095864 0.97 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL21573246 0.97 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL22271217 0.97 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL27290181 0.97 SIGMAR1 (0.39) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL12717632 0.94
SCHEMBL16205340 0.88
SCHEMBL22422691 0.87 SIGMAR1 (0.37) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL22422689 0.87 SIGMAR1 (0.37) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL10997906 0.82 SIGMAR1 (0.36) SIGMAR1DPP4OPRM1OPRL1PHGDH
SCHEMBL10999201 0.81 DPP4 (0.41) SIGMAR1DPP4OPRM1OPRL1KDM4E

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
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2020138499-A1 ALKYL-SUBSTITUTED COMPOUND 大日本住友製薬株式会社 2020-07-02 WO disclosed
WO-2017045751-A1 COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 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 (4 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 SIGMAR1 3391/4885DPP4 3640/4885OPRM1 4589/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SIGMAR1 3506/4885DPP4 3170/4885OPRM1 3872/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SIGMAR1 3506/4885DPP4 3170/4885OPRM1 3872/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP SIGMAR1 3506/4885DPP4 3170/4885OPRM1 3872/4885

“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.