SCHEMBL11934839

SCHEMBL11934839

COc1ccc(CCNCC2CCC(N)CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
GLA P06280 1/20 0.50
EPHX1 P07099 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ADRB2 P07550 2/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MMP2 P08253 1/20 0.48
ANPEP P15144 1/20 0.48

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
SCHEMBL13438704 1.00 KMT2A (0.53) KMT2APOLBATMSMN1; SMN2MEN1
SCHEMBL1965700 0.93 POLB (0.59) KMT2APOLBATMSMN1; SMN2MEN1
SCHEMBL11935209 0.90 KDM4E (0.57) KMT2APOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL14606624 0.89 KDM4E (0.52) KMT2APOLBSMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7272730 0.86 SLC2A1 (0.60) KMT2ASMN1; SMN2MEN1MAPTALDH1A1
SCHEMBL1967751 0.84 CALM1 (0.53) KMT2APOLBATMSMN1; SMN2MEN1
SCHEMBL1970788 0.84 KMT2A (0.56) KMT2APOLBATMSMN1; SMN2MEN1
SCHEMBL1970322 0.84 POLB (0.56) KMT2APOLBATMSMN1; SMN2MEN1
SCHEMBL1969543 0.82 TAAR1 (0.56) GLAADRB2LMNATSHR
SCHEMBL1968618 0.82 PKM (0.47) KMT2APOLBATMSMN1; SMN2MEN1

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 10 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-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-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 KMT2A 2031/4885POLB 4519/4885ATM 4643/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KMT2A 2321/4885POLB 3970/4885ATM 4463/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KMT2A 2517/4885POLB 4104/4885ATM 4455/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R KMT2A 2200/4885POLB 4070/4885ATM 4404/4885

“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.