SCHEMBL4193592

SCHEMBL4193592

OC1(c2cccnc2)CC[N]CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL23231710 0.85 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL30919794 0.85 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL23722370 0.85 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL9616977 0.83 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL639774 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL30814823 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL2425379 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL2486876 0.79 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2APKM
SCHEMBL42581 0.78 OPRL1 (0.52) POLBOPRM1OPRD1OPRK1OPRL1
SCHEMBL4197025 0.78 CHRM2 (0.36) ALDH1A1LMNAMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062291-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 US disclosed
US-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 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-20090062291-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ALDH1A1 777/4885LMNA 4592/4885MEN1 2867/4885
US-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE12, PDE10A ALDH1A1 936/4885LMNA 4552/4885MEN1 2752/4885

“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.