SCHEMBL2275222

SCHEMBL2275222

CO[C@H]1CC[C@H](N2CCC(Nc3cc(C)cc(F)c3[N+](=O)[O-])CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.33
RIPK2 O43353 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
GPR119 Q8TDV5 3/20 0.32
POLB P06746 1/20 0.32
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD2 P14416 2/20 0.31
ADRA1D P25100 2/20 0.31

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
SCHEMBL2279081 1.00 PDE7A (0.33) PDE7ARIPK2MAPTALDH1A1LMNA
SCHEMBL605271 1.00 PDE7A (0.33) PDE7ARIPK2MAPTALDH1A1LMNA
SCHEMBL2274873 0.90 CHRM2 (0.35) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL2274870 0.90 CHRM2 (0.35) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL2278310 0.88 MAPT (0.34) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL2278313 0.88 MAPT (0.34) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL3391965 0.85 CHRM2 (0.39) PDE7AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4749234 0.84 MAPT (0.32) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL2273571 0.83 CHRM2 (0.41) MAPTALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL2273568 0.83 CHRM2 (0.41) MAPTALDH1A1LMNASMN1; SMN2CRHBP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996189-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-09-26 EP disclosed
EP-1996189-B1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-09-26 EP disclosed
US-20110207777-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE TELECOM IP LIMITED 2011-08-25 US disclosed
WO-2007107567-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-09-27 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-20110207777-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 PDE7A 669/4885RIPK2 3859/4885MAPT 603/4885

“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.