SCHEMBL172016

SCHEMBL172016

Cc1c(CN2CCN(c3nccnc3N3CCC(F)(F)CC3)CC2)cnn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMO Q99835 4/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
RET P07949 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TRPC5 Q9UL62 1/20 0.35
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
SYK P43405 1/20 0.32
POLB P06746 2/20 0.32
PDE10A Q9Y233 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
Hydrochloric Acid SCHEMBL123761 0.99 CNR1 (0.41) CNR1CNR2ALDH1A1SMODRD2
SCHEMBL172080 0.88 CNR2 (0.39) CNR1CNR2ALDH1A1SMODRD2
Hydrochloric Acid SCHEMBL122197 0.87 CNR2 (0.39) CNR1CNR2ALDH1A1SMODRD2
SCHEMBL170311 0.85 CNR1 (0.44) CNR1CNR2ALDH1A1SMODRD2
SCHEMBL172372 0.84 CNR1 (0.42) CNR1CNR2ALDH1A1SMODRD2
Hydrochloric Acid SCHEMBL121687 0.84 CNR1 (0.43) CNR1CNR2ALDH1A1SMODRD2
Hydrochloric Acid SCHEMBL123007 0.83 CNR1 (0.42) CNR1CNR2ALDH1A1SMODRD2
SCHEMBL170286 0.82 CNR1 (0.42) CNR1CNR2ALDH1A1SMODRD2
SCHEMBL170347 0.82 CNR1 (0.40) CNR1CNR2ALDH1A1SMODRD2
SCHEMBL122998 0.81 CNR1 (0.48) CNR1CNR2ALDH1A1SMODRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 WO 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C CNR1 22/4885CNR2 24/4885ALDH1A1 2150/4885

“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.