SCHEMBL21673666

SCHEMBL21673666

CC(C)(C)OCCC1CCN(CCOC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
HRH3 Q9Y5N1 2/20 0.36
GNAO1 P09471 1/20 0.36
SIGMAR1 Q99720 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL20314484 0.87 CACNA1I (0.40) KCNH2CACNA1IHRH3GNAO1
SCHEMBL4286396 0.87 KCNH2 (0.48) KCNH2CACNA1IHRH3GNAO1DRD2
SCHEMBL13622459 0.85 HRH3 (0.40) KCNH2CACNA1IHRH3GNAO1SMN1; SMN2
SCHEMBL18016436 0.84 NCF1 (0.45) KCNH2CACNA1IHRH3GNAO1ALDH1A1
SCHEMBL19958949 0.83 KCNH2 (0.45) KCNH2CACNA1IHRH3GNAO1
SCHEMBL824023 0.82 CARM1 (0.47) KCNH2CACNA1IHRH3SIGMAR1
SCHEMBL18872031 0.82 KCNH2 (0.43) KCNH2CACNA1IHRH3GNAO1SIGMAR1
SCHEMBL19958952 0.81 KCNH2 (0.52) KCNH2CACNA1IGNAO1SIGMAR1TMEM97
SCHEMBL19958980 0.81 SLC6A1 (0.36) KCNH2CACNA1IHRH3ALDH1A1SMN1; SMN2
SCHEMBL19958983 0.81 SLC6A1 (0.36) KCNH2CACNA1IHRH3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 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 (1 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-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL KCNH2 4861/4885CACNA1I 4715/4885HRH3 3459/4885

“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.