SCHEMBL21145795

SCHEMBL21145795

CC(C)N1CCCCC(O)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CYP2D6 P10635 2/20 0.32
DPP4 P27487 2/20 0.31
KCNH2 Q12809 1/20 0.30
KAT2B Q92831 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL25956229 1.00 TSHR (0.38) TSHRCA12CA1CA2CA9
SCHEMBL25955969 1.00 TSHR (0.38) TSHRCA12CA1CA2CA9
SCHEMBL12014997 0.93 CA12 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL2603284 0.93 CA12 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL681966 0.93 CA12 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL105168 0.84
SCHEMBL438971 0.84
SCHEMBL2737401 0.84
SCHEMBL22876969 0.83 TSHR (0.43) TSHRHRH3CYP2D6KCNH2
SCHEMBL21146201 0.79 LMNA (0.35) HRH3CYP2D6DPP4KCNH2

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 11 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
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20210361669-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2021-11-25 US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 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 (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-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE TSHR 2197/4885CA12 4323/4885CA1 4081/4885
US-20210361669-A1 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA1 TSHR 708/4885CA12 4790/4885CA1 4650/4885
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP TSHR 4281/4885CA12 3585/4885CA1 4284/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP TSHR 4281/4885CA12 3585/4885CA1 4284/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS TSHR 1504/4885CA12 534/4885CA1 3603/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS TSHR 1504/4885CA12 534/4885CA1 3603/4885

“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.