SCHEMBL16504366

SCHEMBL16504366

CC1(c2cccc(OCc3ccccc3)c2)OC(=O)C2=C1CNCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
MAOB P27338 5/20 0.41
HPD P32754 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MMP13 P45452 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MAOA P21397 2/20 0.39
NR4A2 P43354 1/20 0.39
CYP3A4 P08684 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALOX5 P09917 2/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL18567183 0.81 HRH3 (0.48) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL3554551 0.74 HTR1A (0.52) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL15013831 0.74 NPSR1 (0.42) ADAM17MMP2
SCHEMBL15012626 0.71 HTR1A (0.44) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL9136360 0.68 ALOX5 (0.60) MAOBMAOAALOX5
SCHEMBL542350 0.66 MMP8 (0.57) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL11074085 0.66 ALOX5 (0.56) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL12168269 0.65 OPRM1 (0.46) HTR1ADRD1HTR2AHTR7HTR6
SCHEMBL8237041 0.65 OPRM1 (0.46) HTR1ADRD1HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL2579713 0.65 TACR1 (0.47) HTR1ADRD1HTR2AHTR7HTR6

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
EP-2788359-B1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RES TRIANGLE INST (US) 2017-03-01 EP disclosed
US-9150582-B2 Composition and method for neuropeptide S receptor (NPSR) antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2015-02-26 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-20150057268-A1 COMPOSITION AND METHOD FOR NEUROPEPTIDE S RECEPTOR (NPSR) ANTAGONISTS NPSR1, TACR1, NPFFR1 HTR1A 235/4885DRD1 644/4885HTR2A 230/4885

“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.