SCHEMBL13253252

SCHEMBL13253252

CCC1CCCN(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.39
KCNH2 Q12809 1/20 0.33
PARP1 P09874 1/20 0.31
EPHX2 P34913 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
SCHEMBL16376644 1.00 HRH3 (0.39) HRH3KCNH2PARP1EPHX2
SCHEMBL13890374 0.94 HRH3 (0.38) HRH3KCNH2
SCHEMBL178291 0.91 HRH3 (0.43) HRH3KCNH2EPHX2
SCHEMBL16376634 0.83 KCNH2 (0.36) KCNH2
SCHEMBL14210643 0.83 KCNH2 (0.36) KCNH2
SCHEMBL9926452 0.83 KCNH2 (0.36) KCNH2
SCHEMBL25124985 0.82 HRH3 (0.47) HRH3KCNH2
SCHEMBL20953393 0.82 HRH3 (0.38) HRH3KCNH2
SCHEMBL21776049 0.82 NCF1 (0.48) HRH3KCNH2
SCHEMBL23175630 0.81 CYP1A2 (0.53) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023114733-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2021262910-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
US-10874673-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-29 US disclosed
US-20200299267-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-09-24 US disclosed
WO-2020123847-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-18 WO disclosed
WO-2019144117-A1 BCL-2 PROTEINS DEGRADERS FOR CANCER TREATMENT BIOVENTURES, LLC (US) 2019-07-25 WO disclosed
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2019-05-23 US disclosed
EP-3153023-A1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2017-04-12 EP disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 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 (6 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-20200299267-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR4 HRH3 549/4885KCNH2 2972/4885PARP1 3015/4885
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB HRH3 4271/4885KCNH2 4109/4885PARP1 1556/4885
US-20190151314-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 HRH3 478/4885KCNH2 3218/4885PARP1 3181/4885
US-10874673-B2 Inhibitors of influenza viruses replication ACE, IRF3, ACE2 HRH3 478/4885KCNH2 3218/4885PARP1 3181/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS HRH3 2573/4885KCNH2 4497/4885PARP1 3463/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS HRH3 2573/4885KCNH2 4497/4885PARP1 3463/4885

“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.