SCHEMBL21831479

SCHEMBL21831479

C[C@@H]1CNCCN1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.56
CYP19A1 P11511 1/20 0.56
SLC6A9 P48067 3/20 0.49
OPRM1 P35372 4/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR1A P08908 3/20 0.40
ADRA2A P08913 3/20 0.40
KCNH2 Q12809 3/20 0.40
HTR3A P46098 2/20 0.40
ADRB1 P08588 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
TBXA2R P21731 2/20 0.40
ADRA1A P35348 2/20 0.40

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
SCHEMBL15093683 1.00 CYP2D6 (0.56) CYP2D6CYP19A1SLC6A9OPRM1OPRD1
SCHEMBL10073180 0.87 CYP2D6 (0.47) CYP2D6CYP19A1SLC6A9OPRM1SLC6A4
SCHEMBL21831877 0.84 SIGMAR1 (0.39) CYP2D6CYP19A1OPRM1OPRD1OPRK1
SCHEMBL21831186 0.84 SIGMAR1 (0.39) CYP2D6CYP19A1OPRM1OPRD1OPRK1
SCHEMBL21831184 0.84 SIGMAR1 (0.39) CYP2D6CYP19A1OPRM1OPRD1OPRK1
SCHEMBL4153276 0.83 MEN1 (0.53) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL4153281 0.83 MEN1 (0.53) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL21910174 0.83 CYP2D6 (0.51) CYP2D6CYP19A1SLC6A9OPRM1OPRD1
SCHEMBL21910180 0.83 CYP2D6 (0.51) CYP2D6CYP19A1SLC6A9OPRM1OPRD1
Hydrochloric Acid SCHEMBL30910922 0.83 SIGMAR1 (0.38) CYP2D6CYP19A1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654621-B Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2024-05-14 CN disclosed
EP-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220324859-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2022-10-13 US disclosed
EP-3814348-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2021-05-05 EP disclosed
CN-112654621-A Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2021-04-13 CN disclosed
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 US disclosed
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 US disclosed
US-10669272-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-02 US disclosed
US-10669272-B2 Substituted naphthyridinone compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-02 US disclosed
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2020-04-09 US disclosed
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2020-04-09 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 (5 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-20220324859-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG CYP2D6 3712/4885CYP19A1 2443/4885SLC6A9 3168/4885
US-20200109140-A1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG CYP2D6 3712/4885CYP19A1 2443/4885SLC6A9 3168/4885
US-11713316-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG CYP2D6 3712/4885CYP19A1 2443/4885SLC6A9 3168/4885
US-10669272-B2 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG CYP2D6 3712/4885CYP19A1 2443/4885SLC6A9 3168/4885
US-10954238-B1 Substituted naphthyridinone compounds useful as T cell activators DGKZ, DGKA, DGKG CYP2D6 3712/4885CYP19A1 2443/4885SLC6A9 3168/4885

“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.