SCHEMBL3586685

SCHEMBL3586685

O=C1CC[C@H](c2ccccc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HDAC1 Q13547 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
TNKS O95271 2/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TSHR P16473 1/20 0.40
FFAR1 O14842 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL3584808 1.00 ALDH1A1 (0.49) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL5591295 0.92 LMNA (0.53) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL10571487 0.86 LMNA (0.47) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL14161727 0.86 ALDH1A1 (0.48) ALDH1A1LMNATNKSHCRTR1HCRTR2
SCHEMBL3589131 0.86 PRKCZ (0.44) ALDH1A1LMNATNKSMMP2MMP3
SCHEMBL3589128 0.86 PRKCZ (0.44) ALDH1A1LMNATNKSMMP2MMP3
SCHEMBL3593266 0.85 HSD11B1 (0.46) ALDH1A1LMNAHCRTR1HCRTR2MMP13
SCHEMBL3593269 0.85 HSD11B1 (0.46) ALDH1A1LMNAHCRTR1HCRTR2MMP13
SCHEMBL5591143 0.84 CNR1 (0.48) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL10571455 0.83 LMNA (0.58) ALDH1A1LMNAHDAC1HDAC8HDAC6

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 12 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
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-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-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
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US 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 ALDH1A1 2743/4885LMNA 2549/4885HDAC1 605/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885LMNA 2549/4885HDAC1 605/4885

“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.