SCHEMBL5792243

SCHEMBL5792243

COC(=O)CN(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 1/20 0.43
NR1I2 O75469 1/20 0.43
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
Cadaverine Tartrate SCHEMBL28297788 0.91 ALDH1A1 (0.38) POLBALDH1A1MAPK1NR1I2TSHR
SCHEMBL29067561 0.85 ALDH1A1 (0.42) POLBALDH1A1TSHRRAB9ANPC1
SCHEMBL28332035 0.82 SMN1; SMN2 (0.54) POLBALDH1A1TSHRRAB9ANPC1
SCHEMBL7437555 0.81 MTNR1A (0.49) POLBALDH1A1MAPK1NR1I2TSHR
SCHEMBL8627738 0.81 POLB (0.46) POLBALDH1A1MAPK1NR1I2TSHR
SCHEMBL28156316 0.81 TSHR (0.53) ALDH1A1TSHRHTTKMT2ALMNA
SCHEMBL2435487 0.79 ALDH1A1 (0.47) POLBALDH1A1MAPK1NR1I2TSHR
SCHEMBL5345206 0.79 POLB (0.44) POLBALDH1A1MAPK1NR1I2TSHR
SCHEMBL29172367 0.79 ALDH1A1 (0.38) POLBALDH1A1TSHRRAB9ANPC1
SCHEMBL29873818 0.79 ALDH1A1 (0.46) POLBALDH1A1MAPK1NR1I2TSHR

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
EP-3634978-A1 TAU AGGREGATION INHIBITORS Adrx, Inc. (US) 2020-04-15 EP disclosed
WO-2018226992-A1 TAU AGGREGATION INHIBITORS ADRX, INC. (US) 2018-12-13 WO disclosed
US-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products PROCTER & GAMBLE (US) 2018-11-01 US disclosed
EP-3365324-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-08-29 EP disclosed
CN-108349879-A Synthesis of cyclohexanecarboxamide derivatives useful as sensates in consumer products 宝洁公司 2018-07-31 CN disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS PROCTER & GAMBLE (US) 2017-03-02 US disclosed
WO-2006003671-A1 A PROCESS FOR RESOLUTION OF METHYLAMINO(2-CHLOROPHENYL)ACETATE BATTULA SRINIVASA REDDY (IN) 2006-01-12 WO 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-20180312463-A1 Synthesis of Cyclohexane Carboxamide Derivatives Useful as Sensates in Consumer Products SRM, ACMSD, CUTA POLB 2987/4885ALDH1A1 1211/4885MAPK1 3999/4885
US-20170057911-A1 SYNTHESIS OF ARYL CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS CUTA, ACMSD, SRM POLB 3398/4885ALDH1A1 922/4885MAPK1 3607/4885

“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.