SCHEMBL3720580

SCHEMBL3720580

CN1CCN(Cc2cccc(I)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.62
SIGMAR1 Q99720 5/20 0.56
FAAH O00519 1/20 0.53
CHKA P35790 3/20 0.51
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.50
CA2 P00918 1/20 0.49
NCF1 P14598 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
HTR2A P28223 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL24061111 0.91 MC4R (0.56) MC4RSIGMAR1FAAHCHKAHRH3
SCHEMBL13535291 0.87 MC4R (0.74) MC4RSIGMAR1CHKAHRH3LMNA
SCHEMBL13382006 0.86 ALDH1A1 (0.59) SIGMAR1FAAHHTR2ANPC1TP53
SCHEMBL2225221 0.84 PRMT6 (0.62) SIGMAR1FAAHHRH3PRMT6HTR2A
SCHEMBL26149604 0.82 SMN1; SMN2 (0.64) SIGMAR1FAAHHRH3PRMT6
SCHEMBL13377361 0.82 FAAH (0.50) SIGMAR1FAAHNCF1PRMT6HTR2A
SCHEMBL12830614 0.81 MC4R (0.65) MC4RSIGMAR1CHKAHRH3LMNA
SCHEMBL10076573 0.81 MC4R (0.65) MC4RFAAHHRH3LMNA
SCHEMBL16314612 0.81 SIGMAR1 (0.54) SIGMAR1FAAHHTR2A
SCHEMBL18946202 0.80 LMNA (0.62) SIGMAR1FAAHLMNAPRMT6HTR2A

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
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP disclosed
EP-2393780-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2011-12-14 EP disclosed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US disclosed
WO-2010089119-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-08-12 WO disclosed
WO-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 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 (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-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 MC4R 183/4885SIGMAR1 1225/4885FAAH 92/4885

“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.