SCHEMBL653830

SCHEMBL653830

ClCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNN4 O15554 1/20 0.30
KCNA3 P22001 1/20 0.30
TSHR P16473 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
SCHEMBL8131036 0.87 DAGLA (0.32) CYP11B1CYP11B2
SCHEMBL8575164 0.85
SCHEMBL1121836 0.84 NOTUM (0.35) CYP11B1CYP11B2L3MBTL1POLBSMN1; SMN2
SCHEMBL18982574 0.83 NOTUM (0.34) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4
SCHEMBL752388 0.83 POLB (0.33) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4
SCHEMBL5603377 0.81 TRPV1 (0.42) RAB9AL3MBTL1TSHR
SCHEMBL12327489 0.80 DAGLA (0.35) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL30343520 0.80 POLB (0.32) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4
SCHEMBL6046474 0.79 KDM4E (0.35) CYP11B1CYP11B2POLBSMN1; SMN2KCNN4
SCHEMBL22832703 0.79 IDO1 (0.36) CYP11B1CYP11B2

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 US disclosed
EP-3380970-B1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2023-01-04 EP disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-05-12 US disclosed
US-11155525-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2021-10-26 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 US disclosed
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-11-05 US disclosed
US-10626096-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2020-04-21 US disclosed
US-5939443-A ANTIDIABETIC AGENTS AND TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 1999-08-17 US disclosed
WO-1999029673-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1999-06-17 WO disclosed
EP-0921120-A1 Selective beta 3 adrenergic agonists ELI LILLY AND COMPANY (US) 1999-06-09 EP disclosed
US-5840738-A Selective β-3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-11-24 US disclosed
US-5808080-A Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-09-15 US disclosed
US-5786356-A TREATING TYPE II DIABETES, OBESITY ELI LILLY AND COMPANY (US) 1998-07-28 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 WO disclosed
EP-0827746-A1 Carbazole analogues as selective B3 adrenergic agonists ELI LILLY AND COMPANY (US) 1998-03-11 EP disclosed
WO-1997010825-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1997-03-27 WO disclosed
EP-0764640-A1 Selective beta3 adrenergic agonists ELI LILLY AND COMPANY (US) 1997-03-26 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 (7 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-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS CYP11B1 223/4885CYP11B2 277/4885RAB9A 35/4885
US-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP11B1 263/4885CYP11B2 461/4885RAB9A 3035/4885
US-11155525-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP11B1 263/4885CYP11B2 461/4885RAB9A 3035/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS CYP11B1 130/4885CYP11B2 202/4885RAB9A 31/4885
US-20200347022-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP11B1 314/4885CYP11B2 501/4885RAB9A 2687/4885
US-20220144784-A1 NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST APLNR, AGTR1, AGTR2 CYP11B1 303/4885CYP11B2 505/4885RAB9A 2791/4885
US-10626096-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 CYP11B1 272/4885CYP11B2 469/4885RAB9A 3044/4885

“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.