SCHEMBL11935580

SCHEMBL11935580

CCN1C(=O)c2ccc(NCCCCCN)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
RPS6KA2 Q15349 2/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3L Q9UJW3 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL11935610 0.90 ALDH1A1 (0.44) POLBDNMT1DNMT3LDNMT3ARAB9A
SCHEMBL11935277 0.86 APP (0.50) POLBALDH1A1HPGDKDM4EMEN1
SCHEMBL11935360 0.86 ALDH1A1 (0.53) POLBRAB9AALDH1A1HPGDKDM4E
SCHEMBL11935608 0.83 KDM4E (0.37) RPS6KA2RAB9AALDH1A1HPGDKDM4E
SCHEMBL11935764 0.81 ALDH1A1 (0.54) POLBRAB9AALDH1A1HPGDMEN1
SCHEMBL13565336 0.80 POLB (0.39) POLBDNMT1DNMT3LDNMT3ARAB9A
SCHEMBL13105582 0.80 ALDH1A1 (0.43) POLBRPS6KA2RAB9AALDH1A1HPGD
SCHEMBL11935271 0.79 ESR1 (0.47) POLBALDH1A1HPGDKDM4EMEN1
SCHEMBL11935407 0.77 ALDH1A1 (0.42) POLBRAB9AALDH1A1HPGDMEN1
SCHEMBL11935771 0.77 ALDH1A1 (0.40) POLBRAB9AALDH1A1HPGDMEN1

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-20100273842-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 (4 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 POLB 4519/4885RPS6KA2 2318/4885DNMT1 4787/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R POLB 3970/4885RPS6KA2 1504/4885DNMT1 4432/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R POLB 4104/4885RPS6KA2 1128/4885DNMT1 4848/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R POLB 4070/4885RPS6KA2 1953/4885DNMT1 4471/4885

“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.