SCHEMBL11934799

SCHEMBL11934799

CCCCc1ccc(CNCCCCCN)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
S1PR1 P21453 9/20 0.57
S1PR3 Q99500 9/20 0.57
S1PR2 O95136 7/20 0.57
S1PR4 O95977 4/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
LPAR2 Q9HBW0 3/20 0.55
S1PR5 Q9H228 1/20 0.55
SIGMAR1 Q99720 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR2A P28223 1/20 0.53
CHRM2 P08172 1/20 0.51

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
SCHEMBL11934723 0.98 HRH4 (0.61) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL9784433 0.90 HRH4 (0.72) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL9119495 0.86 HRH4 (0.53) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL19217017 0.86 S1PR1 (0.73) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL13093971 0.86 HRH4 (0.66) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL22736796 0.86 MAOA (0.61) HRH4HRH3LMNASMN1; SMN2SIGMAR1
SCHEMBL7209237 0.84 HTR2A (0.63) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL10045140 0.84 HRH4 (0.63) HRH4HRH3S1PR1S1PR3S1PR2
SCHEMBL19456501 0.84 MAOA (0.59) HRH4HRH3LMNASMN1; SMN2SIGMAR1
SCHEMBL12085625 0.84 MAOA (0.59) HRH4HRH3LMNASMN1; SMN2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (3 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R HRH4 144/4885HRH3 192/4885S1PR1 302/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R HRH4 123/4885HRH3 155/4885S1PR1 303/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HRH4 167/4885HRH3 212/4885S1PR1 480/4885

“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.