SCHEMBL11935211

SCHEMBL11935211

NC1CCC(CNCCSCc2ccc(Cl)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.39
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALOX12 P18054 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRL1 P41146 4/20 0.34
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR2 P34972 1/20 0.33
GRM4 Q14833 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL13438700 0.79 LMNA (0.51) ALDH1A1POLBLMNACYP1A2CYP3A4
SCHEMBL11934827 0.79 LMNA (0.51) ALDH1A1POLBLMNACYP1A2CYP3A4
SCHEMBL13565023 0.77 CNR2 (0.40) CXCR3ALDH1A1MAPTLMNACYP1A2
SCHEMBL13438701 0.77 RECQL (0.46) ALDH1A1POLBMAPTLMNACYP1A2
SCHEMBL11934821 0.77 RECQL (0.46) ALDH1A1POLBMAPTLMNACYP1A2
SCHEMBL13438745 0.72 ALDH1A1 (0.44) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL11934866 0.72 ALDH1A1 (0.44) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL11742336 0.66 CYP1A2 (0.69) ALDH1A1POLBMAPTLMNACYP1A2
SCHEMBL2393070 0.66 HDAC6 (0.43) CXCR3CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL14935031 0.66 FPR2 (0.50) CXCR3KMT2AOPRL1TP53

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 8 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-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 (2 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 CXCR3 717/4885ALDH1A1 3842/4885POLB 4519/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CXCR3 816/4885ALDH1A1 3361/4885POLB 4070/4885

“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.