SCHEMBL3590735

SCHEMBL3590735

[CH2]N1CCN(c2cc(F)ccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HRH4 Q9H3N8 1/20 0.41
ADRB1 P08588 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.37
CHI3L1 P36222 1/20 0.37
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL22045136 0.83 HRH4 (0.51) HRH3HRH4ADRB1ALDH1A1SMN1; SMN2
SCHEMBL3590738 0.82 HRH4 (0.59) HRH3HRH4ALDH1A1GAAMEN1
SCHEMBL22581914 0.79 ADRB1 (0.64) HRH3ADRB1ALDH1A1KDM4E
SCHEMBL30567171 0.79 ADRB1 (0.64) HRH3ADRB1ALDH1A1KDM4E
SCHEMBL31196150 0.79 PIK3CA (0.58) SMN1; SMN2PIK3CA
SCHEMBL16333432 0.78 HRH3 (0.42) HRH3HRH4ADRB1LMNAALDH1A1
Hydrochloric Acid SCHEMBL31061135 0.77 ADRB1 (0.62) HRH3ADRB1ALDH1A1KDM4E
SCHEMBL16333334 0.73 HRH3 (0.56) HRH3LMNAALDH1A1MAPTPOLB
SCHEMBL12093609 0.72 HRH3 (0.57) HRH3HRH4CHI3L1CHIT1CHIA
SCHEMBL1371533 0.72 PLD1 (0.61) ALDH1A1SMN1; SMN2GAAMAPTPOLB

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 HRH3 412/4885HRH4 327/4885ADRB1 96/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HRH3 412/4885HRH4 327/4885ADRB1 96/4885

“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.