SCHEMBL172175

SCHEMBL172175

Cc1c(CN2CCN(c3cccnc3N3CCC(CO)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
TRPC5 Q9UL62 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
PDE10A Q9Y233 6/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MPI P34949 1/20 0.39

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 SCHEMBL124926 0.99 CNR1 (0.42) CNR1CNR2TRPC5HTR3EHTR3B
SCHEMBL122179 0.89 PDE10A (0.43) CNR1CNR2PDE10ADRD2DRD4
SCHEMBL172215 0.89 GAA (0.41) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL125616 0.88 PDE10A (0.43) CNR1CNR2PDE10ADRD2DRD4
Hydrochloric Acid SCHEMBL123508 0.88 GAA (0.40) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL172343 0.87 SMO (0.58) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL122278 0.86 SMO (0.57) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL12742570 0.81 LMNA (0.42) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL12742533 0.81 CNR1 (0.40) CNR1CNR2PDE10AKMT2AMAPT
Hydrochloric Acid SCHEMBL124011 0.80 LMNA (0.41) HTR3EHTR3BHTR1AHTR2CHTR3A

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 24/4885TRPC5 123/4885

“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.