SCHEMBL3056753

SCHEMBL3056753

O=c1c2cc(N3CCNCC3)ccc2ccn1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTR1A P08908 4/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
ADRB1 P08588 4/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SYK P43405 2/20 0.38
HTR6 P50406 4/20 0.38
HTR2B P41595 3/20 0.38

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
SCHEMBL1920629 0.84 CYP3A4 (0.45) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL3050675 0.77 LMNA (0.46) CYP3A4CYP2C19HTT
SCHEMBL1921273 0.73 HTR1A (0.42) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL1919918 0.73 PSMB1 (0.53)
SCHEMBL3517454 0.73 TNF (0.43) HTR2CHTR2A
SCHEMBL9685430 0.72 USP19 (0.48) CYP3A4CYP2C19TP53CYP1A2CYP2D6
SCHEMBL3049159 0.72 KDM4E (0.42) CYP3A4CYP2C19CYP2D6HTTDRD2
SCHEMBL28499890 0.69 HTR3E (0.49) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL9396666 0.69 HTR3E (0.51) HTR5AHTR3EHTR3BHTR3AHTR3D
SCHEMBL13046538 0.69 TNF (0.56) CYP3A4CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
US-8299023-B2 Neuropeptide-2 receptor (Y-2R) agonists HOFFMANN-LA ROCHE INC. (US) 2012-10-30 US disclosed
WO-2010031707-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US disclosed
US-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS DANHO WALEED 2010-03-18 US 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-20100069307-A1 NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS NPY2R, NPY1R, NPY4R HTR5A 337/4885HTR3E 261/4885HTR3B 222/4885

“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.