SCHEMBL7684732

SCHEMBL7684732

Clc1ccc(OCc2nc3ccccc3n2CCCN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 1.00
TP53 P04637 4/20 0.62
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
ESR1 P03372 1/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
ADRA2B P18089 1/20 0.54
HTR2A P28223 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54

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
SCHEMBL7692591 0.89 NPY1R (0.81) NPY1RTP53MAPTSMN1; SMN2LMNA
SCHEMBL7690760 0.89 NPY1R (0.80) NPY1RTP53
SCHEMBL7692676 0.86 NPY1R (0.76) NPY1R
SCHEMBL7685702 0.85 NPY1R (0.74) NPY1RTP53MAPTSMN1; SMN2
SCHEMBL7688844 0.84 NPY1R (0.73) NPY1RTP53
SCHEMBL7691410 0.83 NPY1R (0.85) NPY1R
SCHEMBL7951612 0.83 NPY1R (0.71) NPY1RTP53MAPTSMN1; SMN2TSHR
SCHEMBL7690343 0.83 NPY1R (0.71) NPY1RTP53MAPTSMN1; SMN2TSHR
SCHEMBL15085842 0.81 NPY1R (0.69) NPY1RTP53MAPTSMN1; SMN2NR1I2
SCHEMBL7686522 0.79 NPY1R (0.64) NPY1RTP53MAPTSMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists BRITTON THOMAS CHARLES (US) 2002-01-17 US disclosed
US-6255494-B1 SUBSTITUTED BENZIMIDAZOLES USEFUL IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y (AROUND ARTERIES IN HEART, RESPIRATORY TRACT, GASTROINTESTINAL TRACT AND GENITOURINARY TRACT); ETIOLOGY OF PSYCHIATRIC DISORDERS ELI LILLY AND COMPANY 2001-07-03 US disclosed
EP-0871442-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-10-21 EP disclosed
WO-1997025041-A1 BENZIMIDZOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-07-17 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-20020007071-A1 Benzimidzolyl neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY5R NPY1R 1/4885TP53 4432/4885MAPT 3175/4885

“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.