SCHEMBL24733237

SCHEMBL24733237

CC(C)N1CCCC(CC#N)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
CTSK P43235 1/20 0.31
KCNH2 Q12809 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
SCHEMBL4438468 0.93 HRH3 (0.39) HRH3KCNH2
SCHEMBL26890222 0.86 DRD2 (0.40) DRD2DRD3CTSLCTSBCTSH
SCHEMBL26864272 0.82 HRH3 (0.36) HRH3KCNH2
SCHEMBL25589224 0.81 HRH3 (0.34) HRH3DRD2DRD3
SCHEMBL13253252 0.77 HRH3 (0.39) HRH3KCNH2
SCHEMBL16376644 0.77 HRH3 (0.39) HRH3KCNH2
SCHEMBL21776049 0.76 NCF1 (0.48) HRH3KCNH2
SCHEMBL20953393 0.76 HRH3 (0.38) HRH3CTSLCTSBCTSHCTSK
SCHEMBL25124985 0.76 HRH3 (0.47) HRH3KCNH2
SCHEMBL26310368 0.76 NCF1 (0.43) HRH3DRD2DRD3CTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
WO-2022256459-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-08 WO 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 (2 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-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS HRH3 2573/4885DRD2 4639/4885DRD3 4417/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS HRH3 2573/4885DRD2 4639/4885DRD3 4417/4885

“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.