SCHEMBL13697604

SCHEMBL13697604

CC1(C)CCC[C@H](N2CCCCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.37
HTR6 P50406 1/20 0.35
HRH3 Q9Y5N1 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
IDH1 O75874 1/20 0.33
KCNH2 Q12809 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL13697613 0.98 HTR6 (0.36) OPRL1HTR6HRH3SIGMAR1IDH1
SCHEMBL14494758 0.98 HTR6 (0.36) OPRL1HTR6HRH3SIGMAR1IDH1
SCHEMBL21594221 0.92 HTR6 (0.39) OPRL1HTR6HRH3SIGMAR1KCNH2
SCHEMBL30683689 0.88 HRH3 (0.40) HRH3SIGMAR1KCNH2MEN1KMT2A
SCHEMBL10863656 0.85 HRH3 (0.34) OPRL1HTR6HRH3SIGMAR1KCNH2
SCHEMBL13697558 0.84 KDM4E (0.33) IDH1
SCHEMBL13697514 0.84 KDM4E (0.33) IDH1
SCHEMBL13697554 0.84 ACKR3 (0.31) IDH1
SCHEMBL14494674 0.84 IDH1 (0.32) HRH3SIGMAR1IDH1
SCHEMBL14494672 0.82 SMN1; SMN2 (0.41) OPRL1HRH3L3MBTL3L3MBTL1

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-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 OPRL1 38/4885HTR6 453/4885HRH3 14/4885

“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.