SCHEMBL8314294

SCHEMBL8314294

CC1(C)CCN(C2CCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HRH3 Q9Y5N1 8/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL18202930 0.90 HRH3 (0.33) SIGMAR1HRH3KCNH2OPRL1
SCHEMBL11001122 0.81 SIGMAR1 (0.43) SIGMAR1HRH3KCNH2
SCHEMBL736315 0.81 KDM4E (0.41) HRH3POLB
SCHEMBL13227552 0.81 KDM4E (0.41) HRH3POLB
SCHEMBL26691266 0.81 SIGMAR1 (0.35) SIGMAR1HRH3KCNH2POLBOPRL1
SCHEMBL13620647 0.81 ALDH1A1 (0.38) HRH3OPRL1
SCHEMBL10863656 0.79 HRH3 (0.34) SIGMAR1HRH3KCNH2OPRL1
SCHEMBL11942149 0.79 OPRL1 (0.31) OPRL1
SCHEMBL18202974 0.79 HRH3 (0.46) HRH3OPRL1
SCHEMBL4481058 0.79 HRH3 (0.34) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 SIGMAR1 3391/4885HRH3 2982/4885KCNH2 3866/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 SIGMAR1 3391/4885HRH3 2982/4885KCNH2 3866/4885

“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.