SCHEMBL19003654

SCHEMBL19003654

CCCCC(CCC)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NR1I2 O75469 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
PYCR1 P32322 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2A P28223 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
MAPK1 P28482 2/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL18896204 0.96 NR1I2 (0.41) ESR1ESR2NR1I2CYP1A2CYP2D6
SCHEMBL25788715 0.94 NR1I2 (0.45) ESR1ESR2NR1I2CYP1A2CYP2D6
SCHEMBL19901495 0.92 ESR1 (0.47) ESR1ESR2CYP1A2CYP2D6PYCR1
SCHEMBL18763953 0.90 NR1I2 (0.49) NR1I2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL18896268 0.90 NR1I2 (0.49) NR1I2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL18816268 0.90 NR1I2 (0.47) ESR1ESR2NR1I2CYP1A2CYP2D6
SCHEMBL18896172 0.88 NR1I2 (0.50) ESR1ESR2NR1I2CYP1A2CYP2D6
SCHEMBL20036515 0.88 NR1I2 (0.50) ESR1ESR2NR1I2CYP1A2CYP2D6
SCHEMBL18816275 0.88 NR1I2 (0.50) NR1I2CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL22358957 0.88 NR1I2 (0.50) NR1I2CYP1A2CYP2D6CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
WO-2020149553-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR TREATMENT OF KINASE-RELATED DISEASE 주식회사 보로노이 2020-07-23 WO disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 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-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 ESR1 3973/4885ESR2 2251/4885NR1I2 192/4885
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 ESR1 3973/4885ESR2 2251/4885NR1I2 192/4885

“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.