SCHEMBL2018034

SCHEMBL2018034

CNCC(=O)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
NPSR1 Q6W5P4 1/20 0.58
EPHX1 P07099 6/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX2 P34913 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2C19 P33261 1/20 0.49

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
SCHEMBL24322791 0.98 LMNA (0.58) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL2018813 0.89
SCHEMBL931108 0.83 NPSR1 (0.62) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL15713113 0.83 NPSR1 (0.62) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL19669665 0.83 NPSR1 (0.62) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL931220 0.83 NPSR1 (0.62) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL18010859 0.83 NPSR1 (0.62) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL5103623 0.81 LMNA (0.63) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL22731140 0.81 LMNA (0.63) LMNANPSR1EPHX1HPGDKMT2A
SCHEMBL11592487 0.81 NPSR1 (0.60) LMNANPSR1EPHX1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854637-A Three tadalafil synthesis process byproducts and preparation method thereof 南京华威医药科技集团有限公司 2023-10-10 CN disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 US disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 EP disclosed
WO-2013157540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-10-24 WO disclosed
US-20130041178-A1 METHOD FOR PREPARING OPTICALLY ACTIVE N-METHYLAMINO ACIDS AND OPTICALLY ACTIVE N-METHYLAMINO ACID AMIDES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-02-14 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 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-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 LMNA 4646/4885NPSR1 1780/4885EPHX1 3634/4885
US-20130041178-A1 METHOD FOR PREPARING OPTICALLY ACTIVE N-METHYLAMINO ACIDS AND OPTICALLY ACTIVE N-METHYLAMINO ACID AMIDES NAAA, METTL3, AMD1 LMNA 830/4885NPSR1 946/4885EPHX1 2290/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 LMNA 4087/4885NPSR1 1147/4885EPHX1 284/4885

“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.