SCHEMBL18194792

SCHEMBL18194792

CCCO[C@H](c1ccc(F)cc1)C1CCN(CCc2c(C)nc3ccccn3c2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.66
HTR2C P28335 5/20 0.63
HTR1A P08908 4/20 0.63
MAPT P10636 4/20 0.63
CYP2D6 P10635 4/20 0.63
TSHR P16473 4/20 0.63
PMP22 Q01453 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
CYP3A4 P08684 2/20 0.63
PKM P14618 2/20 0.63
KMT2A Q03164 2/20 0.63
HPGD P15428 1/20 0.63
THPO P40225 1/20 0.63
ADRA1A P35348 7/20 0.47
ADRA2A P08913 7/20 0.47
ADRA2B P18089 7/20 0.47
ADRA2C P18825 7/20 0.47
HTR2A P28223 5/20 0.46

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
SCHEMBL18197060 0.94 ACHE (0.64) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL18197061 0.94 ACHE (0.64) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL18197095 0.94 ACHE (0.64) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL18194790 0.93 ACHE (0.56) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL18194791 0.93 ACHE (0.56) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL6523805 0.85 ACHE (0.71) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL6523807 0.85 ACHE (0.71) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL6523816 0.85 ACHE (0.71) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL16351781 0.78 ACHE (0.60) ACHEHTR2CHTR1AMAPTCYP2D6
SCHEMBL16351775 0.78 ACHE (0.60) ACHEHTR2CHTR1AMAPTCYP2D6

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-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2016-11-03 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-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ACHE 289/4885HTR2C 981/4885HTR1A 619/4885

“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.