SCHEMBL3603623

SCHEMBL3603623

CN1CCCC(Oc2cccc(CN)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.46
UTS2R Q9UKP6 1/20 0.42
EED O75530 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL3288175 0.86 OPRK1 (0.46) HRH3
Hydrochloric Acid SCHEMBL4228960 0.85 SMN1; SMN2 (0.48) ALDH1A1HRH3
SCHEMBL13452625 0.83 ALDH1A1 (0.49) CHRM2CHRM1CHRM3ALDH1A1PARP1
SCHEMBL6489092 0.81 CSNK2A1 (0.54) ALDH1A1
SCHEMBL1409246 0.81 CSNK2A1 (0.50) ALDH1A1
SCHEMBL24394537 0.81 ALDH1A1 (0.62) ALDH1A1UTS2RSLC6A4HRH3L3MBTL1
SCHEMBL13813860 0.81 SLC6A2 (0.51) CHRM2CHRM1CHRM3ALDH1A1SLC6A4
SCHEMBL16220846 0.81 KDM4E (0.49) ALDH1A1UTS2RHTR2CHTR2BSLC6A4
SCHEMBL12696907 0.80 LOX (0.55) ALDH1A1
SCHEMBL20658781 0.80 HTR2C (0.47) CHRM3UTS2RHTR2CHTR2BSLC6A4

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-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP CHRM2 303/4885CHRM1 760/4885CHRM3 939/4885

“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.