SCHEMBL126155

SCHEMBL126155

Clc1nccnc1N1CCN(Cc2cnn(Cc3ccccc3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.50
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
HTR1A P08908 1/20 0.50
HSD11B1 P28845 1/20 0.50
DRD4 P21917 7/20 0.49
DRD2 P14416 4/20 0.49
DRD3 P35462 4/20 0.49
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
SMO Q99835 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3323015 0.84 DRD4 (0.70) HTR2CHTR1ADRD4DRD2DRD3
SCHEMBL9961735 0.83 DRD2 (0.50) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL123599 0.83 DRD4 (0.40) HTR2CHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3321886 0.82 DRD2 (0.49) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL3321653 0.81 DRD4 (0.42) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL14015447 0.79 HSD11B1 (0.43) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL123223 0.78 DRD4 (0.62) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL9961738 0.78 DRD4 (0.46) HTR2CHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL3322335 0.77 DRD4 (0.46) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL3320933 0.76 ALDH1A1 (0.46) HTR2CHTR3EHTR3BHTR3AHTR3D

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 9 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
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-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
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 HTR2C 3/4885HTR3E 16/4885HTR3B 6/4885

“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.