SCHEMBL5442009

SCHEMBL5442009

Cc1ccc(CNCCCNC(=O)O)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.66
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40
ALOX5 P09917 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL7992555 0.79 CHRM2 (0.78) CHRM2TSHRALDH1A1MAPTPKM
SCHEMBL10864363 0.76 CHRM2 (0.73) CHRM2HPGDTSHRALDH1A1MAPT
SCHEMBL8748293 0.76 CHRM2 (0.68) CHRM2ALDH1A1MAPTPKMPOLB
SCHEMBL18415480 0.74 ALDH1A1 (0.51) CHRM2HPGDTSHRALDH1A1MAPT
SCHEMBL13190872 0.74 EPHX2 (0.48) CHRM2HPGDTSHRALDH1A1MAPT
SCHEMBL7976745 0.73 ALDH1A1 (0.50) CHRM2HPGDTSHRALDH1A1MAPT
SCHEMBL6616830 0.73 CHRM2 (0.68) CHRM2TSHRALDH1A1MAPTPKM
SCHEMBL10061717 0.73 MAPT (0.50) CHRM2HPGDTSHRALDH1A1MAPT
SCHEMBL20194513 0.72 CHRM2 (0.49) CHRM2HPGDALDH1A1MAPTPKM
SCHEMBL19712892 0.72 ALDH1A1 (0.55) CHRM2ALDH1A1MAPTPKMCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CHRM2 48/4885HPGD 564/4885TSHR 3501/4885

“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.