SCHEMBL24733233

SCHEMBL24733233

CC(C)N1CCCC(C#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DPP4 P27487 7/20 0.35
NSD2 O96028 1/20 0.31

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
SCHEMBL104775 0.91 HRH3 (0.43) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL25785670 0.86 DPP4 (0.39) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL12259272 0.86 DRD2 (0.43) HRH3DRD2DRD3DPP4
SCHEMBL2901486 0.86 DRD2 (0.43) HRH3DRD2DRD3DPP4
SCHEMBL26700144 0.86 DRD2 (0.43) HRH3DRD2DRD3DPP4
SCHEMBL2737416 0.81 HRH3 (0.40) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL2737400 0.81 HRH3 (0.40) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL2737387 0.81 HRH3 (0.40) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL26889919 0.79 HRH3 (0.33) HRH3DRD2DRD3
Thiocyanic Acid SCHEMBL14482240 0.75 ALDH1A1 (0.36) HRH3DRD2DRD3KDM4EALDH1A1

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-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-2023114733-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
WO-2022261210-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-15 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.