SCHEMBL20458024

SCHEMBL20458024

Cc1cc(C(C)C)ccc1C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.54
HTR6 P50406 7/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
SOS1 Q07889 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 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
SCHEMBL15785387 0.82 HTR6 (0.45) HTR2CHTR6CHRNB2CHRNA4TLR9
SCHEMBL6707301 0.80 HTR2C (0.58) HTR2CHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL5534626 0.79 HTR2C (0.61) HTR2CHTR6CHRNB2CHRNA4SOS1
SCHEMBL17660611 0.79 HTR2A (0.40) HTR2CHTR6CHRNB2CHRNA4TLR9
SCHEMBL20883687 0.78 TLR9 (0.42) HTR2CHTR6CHRNB2CHRNA4TLR9
Hydrochloric Acid SCHEMBL11444226 0.77 HTR2C (0.62) HTR2CHTR6CHRNB2CHRNA4SLC6A2
Hydrochloric Acid SCHEMBL29688771 0.77 HTR2C (0.62) HTR2CHTR6CHRNB2CHRNA4SLC6A2
SCHEMBL25085559 0.77 CYP1A2 (0.40) HTR2CHTR6CHRNB2CHRNA4SLC6A2
SCHEMBL20883573 0.77 HTR6 (0.40) HTR2CHTR6CHRNB2CHRNA4SLC6A2
SCHEMBL20883807 0.77 HTR2C (0.39) HTR2CHTR6CHRNB2CHRNA4TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-20200179356-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER ASANA BIOSCIENCES, LLC 2020-06-11 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 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 (8 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HTR2C 2918/4885HTR6 4013/4885CHRNB2 4850/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HTR2C 4299/4885HTR6 3840/4885CHRNB2 4074/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS HTR2C 4299/4885HTR6 3840/4885CHRNB2 4074/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 HTR2C 2918/4885HTR6 4013/4885CHRNB2 4850/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL HTR2C 3127/4885HTR6 3352/4885CHRNB2 4866/4885
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B HTR2C 4383/4885HTR6 4421/4885CHRNB2 4712/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 HTR2C 3415/4885HTR6 4529/4885CHRNB2 4847/4885
US-20200179356-A1 HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER KRAS, NRAS, RAF1 HTR2C 2728/4885HTR6 3493/4885CHRNB2 4221/4885

“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.