SCHEMBL3592248

SCHEMBL3592248

[CH2]N1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.53
SMO Q99835 6/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR119 Q8TDV5 1/20 0.48
GPR39 O43194 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL29514660 0.84 KDM4E (0.54) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL14844043 0.84 SMO (0.56) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL3048925 0.84 KDM4E (0.54) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL3592250 0.83 KDM4E (0.54) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL3051541 0.83 CNR2 (0.54) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL19748850 0.81 PANK3 (0.61) PANK3SMODPP4DPP8DPP9
SCHEMBL30390836 0.81 KDM4E (0.51) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL231983 0.81 KDM4E (0.51) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL2349007 0.81 KDM4E (0.51) PANK3SMOKDM4EALDH1A1L3MBTL1
SCHEMBL21521218 0.81 PANK3 (0.58) PANK3DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PANK3 1367/4885SMO 438/4885KDM4E 1763/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PANK3 1367/4885SMO 438/4885KDM4E 1763/4885

“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.