SCHEMBL4047339

SCHEMBL4047339

c1ccc(CC2NCCCn3cccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ADRA2C P18825 1/20 0.47
SLC22A1 O15245 1/20 0.44
PRCP P42785 1/20 0.44
POLB P06746 1/20 0.44
ADRB2 P07550 1/20 0.40
GRIN2B Q13224 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
GBA1 P04062 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
SCHEMBL2425151 0.91 KDM4E (0.59) ALDH1A1KDM4ESLC22A1PRCPPOLB
SCHEMBL3959433 0.84 ADRA2C (0.44) ALDH1A1KDM4EADRA2C
SCHEMBL2753676 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL14160426 0.76 ALDH1A1 (0.81) ALDH1A1KDM4EADRA2CPRCPGAA
SCHEMBL21976928 0.75 KDM4E (0.52) ALDH1A1KDM4EADRA2CGAAMAPT
Hydrochloric Acid SCHEMBL4780681 0.75 ALDH1A1 (0.79) ALDH1A1KDM4EADRA2CPRCPGAA
SCHEMBL20073920 0.72 ADRA2C (0.56) ALDH1A1KDM4EADRA2CGAAMAPT
SCHEMBL2751725 0.71 KDM4E (0.54) ALDH1A1KDM4EADRA2CGAAMAPT
SCHEMBL131285 0.71 ALDH1A1 (0.54) ALDH1A1KDM4EADRA2CGAAMAPT
Hydrochloric Acid SCHEMBL5038221 0.71 GHSR (0.46) SLC22A1PRCPPOLBHDAC8

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
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 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 (1 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 ALDH1A1 4812/4885KDM4E 2542/4885ADRA2C 164/4885

“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.