SCHEMBL7855646

SCHEMBL7855646

[C-]#[N+]Cc1cc(C)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.40
HTR1D P28221 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
HSPA5 P11021 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR1B P28222 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL12629117 0.81 PGK1 (0.38)
SCHEMBL29954468 0.81 IDH1 (0.35) TSHR
SCHEMBL28264683 0.79 TACR1 (0.46) TACR1HTR1DRXRARXRBPOLB
SCHEMBL18643576 0.75 TACR1 (0.44) TACR1HTR1DRXRARXRBPOLB
SCHEMBL4391448 0.74 TACR1 (0.43) TACR1HTR1DRXRARXRBPOLB
SCHEMBL19051205 0.74 TACR1 (0.43) TACR1HTR1DRXRARXRBPOLB
SCHEMBL4402388 0.73 ACHE (0.40) TACR1RXRARXRBCYP2C19
SCHEMBL10204478 0.72 TACR1 (0.37) TACR1
SCHEMBL10204339 0.72 NR1D1 (0.31)
SCHEMBL4403988 0.71 TSHR (0.42) HTR1DTSHRHTR1B

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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I TACR1 362/4885HTR1D 702/4885RXRA 4417/4885

“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.