SCHEMBL17835196

SCHEMBL17835196

CCC(C1CCCCC1)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
EPHX1 P07099 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC2A1 P11166 1/20 0.35
KAT2B Q92831 1/20 0.35
OPRM1 P35372 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL172667 1.00 SHBG (0.52) SHBGEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL170996 0.98 SHBG (0.48) SHBGEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL12965962 0.87
SCHEMBL12443366 0.87
SCHEMBL12443364 0.87
SCHEMBL14612281 0.82 SHBG (0.43) SHBGEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL13999841 0.82 SHBG (0.43) SHBGEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL13999389 0.82 SHBG (0.43) SHBGEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL7457093 0.79 SHBG (0.39) SHBGEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL11501553 0.79 SLC6A2 (0.40) SHBGEPHX1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-09-28 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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 (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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 SHBG 4790/4885EPHX1 962/4885CHRNB2 64/4885
US-20170275289-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC1 SHBG 4657/4885EPHX1 3603/4885CHRNB2 3421/4885

“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.