SCHEMBL5770043

SCHEMBL5770043

Clc1ccccc1NCCN1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.59
HPGD P15428 1/20 0.53
MAPT P10636 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
APAF1 O14727 1/20 0.51
NPC1 O15118 1/20 0.51
NSD2 O96028 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
GAA P10253 1/20 0.47
ACP1 P24666 1/20 0.47
SMARCA2 P51531 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 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
SCHEMBL4932077 0.79 MEN1 (0.61) DRD3MAPTHRH3APAF1NPC1
SCHEMBL11722763 0.79 DRD3 (0.59) DRD3MAPTHRH3APAF1NPC1
SCHEMBL4922627 0.79 DRD3 (0.63) DRD3MAPTHRH3HTTDPP7
SCHEMBL791880 0.78 DRD3 (0.61) DRD3MAPTHRH3APAF1NPC1
SCHEMBL5884397 0.78 DRD3 (0.57) DRD3MAPTHRH3APAF1NPC1
SCHEMBL9421891 0.77 MAPT (0.52) HPGDMAPTHTTSMN1; SMN2LMNA
SCHEMBL4930910 0.76 ACHE (0.62) DRD3HRH3SMN1; SMN2NPSR1CYP1A2
SCHEMBL8560287 0.76 DRD3 (0.58) DRD3HRH3DPP7ACP1SMARCA2
SCHEMBL16268869 0.75 DPP7 (0.63) MAPTSMN1; SMN2DPP7CYP2D6CYP2C19
SCHEMBL4928911 0.74 ALDH1A1 (0.58) DRD3HPGDHRH3RAB9ADPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
EP-1638944-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000821-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-01-06 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 DRD3 1694/4885HPGD 1291/4885MAPT 3578/4885

“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.