SCHEMBL7963921

SCHEMBL7963921

c1ccc2c(C3CCNCC3)cncc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.49
ADRB2 P07550 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.48
HTR6 P50406 2/20 0.46
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30735834 1.00 HTR2C (0.49) HTR2CADRB2IRAK4HTR6SLC18A3
Oxalic Acid SCHEMBL7963303 0.91 HTR6 (0.44) HTR2CADRB2IRAK4HTR6SLC18A3
SCHEMBL13728399 0.88 CYP11B2 (0.42) IRAK4HTR1ASLC6A4
SCHEMBL28442398 0.84 TDP1 (0.41) SLC6A4
SCHEMBL11665783 0.83 TDP1 (0.44)
Cyclohexane SCHEMBL22288135 0.83 TDP1 (0.44)
SCHEMBL19284583 0.81 PRKCZ (0.48) HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL30368871 0.81 PRKCZ (0.48) HTR2CHTR1ASLC6A2SLC6A4
SCHEMBL2710242 0.79 HTR2C (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1
SCHEMBL30368566 0.79 HTR2C (0.56) HTR2CADRB2HTR6SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109660-A1 CDK INHIBITORS 上海齐鲁制药研究中心有限公司 2024-05-30 WO disclosed
US-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 SRX CARDIO, LLC (US) 2024-02-06 US disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 SRX CARDIO, LLC 2021-02-04 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) SRX CARDIO, LLC 2019-04-25 US disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 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 (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-11891369-B2 Compounds for binding proprotein convertase subtilisin/kexin type 9 PCSK9, PCSK6, PCSK7 HTR2C 3255/4885ADRB2 3352/4885IRAK4 2402/4885
US-20210032214-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 PCSK9, PCSK6, PCSK7 HTR2C 3311/4885ADRB2 3639/4885IRAK4 3041/4885
US-20190119236-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 HTR2C 3540/4885ADRB2 3444/4885IRAK4 2827/4885

“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.