SCHEMBL3593807

SCHEMBL3593807

[CH](c1ccccn1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ATM Q13315 1/20 0.48
HTR7 P34969 2/20 0.45
MAPK1 P28482 2/20 0.45
IKBKB O14920 1/20 0.45
RAF1 P04049 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
KDR P35968 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
PRKAG1 P54619 1/20 0.45
MAP2K1 Q02750 1/20 0.45
PRDX1 Q06830 1/20 0.45
PRKAA1 Q13131 1/20 0.45
MAPK14 Q16539 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
SCHEMBL2464389 0.82 RAB9A (0.54) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL4156152 0.81 RAB9A (0.52) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL3588114 0.79 PLD1 (0.48) PLD1MEN1KMT2AHTR7MAPK1
SCHEMBL4154208 0.78 RAB9A (0.54) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL7400896 0.76 PLD1 (0.47) PLD1MEN1KMT2ARAB9ANPC1
2-Pyridinecarboxaldehyde SCHEMBL28090541 0.73 MEN1 (0.52) PLD1MEN1KMT2ARAB9ANPC1
Piperazine SCHEMBL28080535 0.73 MEN1 (0.52) PLD1MEN1KMT2ARAB9ANPC1
SCHEMBL11470202 0.73 KDM4E (0.50) PLD1MEN1KMT2ARAB9AALDH1A1
SCHEMBL11470204 0.73 KDM4E (0.50) PLD1MEN1KMT2ARAB9AALDH1A1
SCHEMBL15051734 0.70 MAPK1 (0.53) PLD1MEN1KMT2ARAB9ANPC1

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-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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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 PLD1 589/4885MEN1 2896/4885KMT2A 2711/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH PLD1 589/4885MEN1 2896/4885KMT2A 2711/4885

“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.