SCHEMBL802579

SCHEMBL802579

CN(C(=O)CCCNC(=O)N1CCC2CCCCC2C1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
CHRM1 P11229 2/20 0.39
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
PDE2A O00408 4/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
P2RY12 Q9H244 4/20 0.36
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
NPBWR1 P48145 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 1/20 0.35
HTT P42858 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL10138022 0.93 ALDH1A1 (0.41) ALDH1A1PKMCHRM1LMNASIGMAR1
SCHEMBL770946 0.86 CHRM1 (0.39) CHRM1LMNAHSD11B1HTT
SCHEMBL794234 0.84 GNAI3 (0.42) ALDH1A1PKMSIGMAR1HSD11B1MEN1
SCHEMBL771054 0.84 LMNA (0.39) CHRM1LMNAHSD11B1HTT
SCHEMBL769830 0.83 LMNA (0.39) CHRM1LMNASIGMAR1HSD11B1HTT
SCHEMBL770719 0.81 EPHX2 (0.46) ALDH1A1CHRM1LMNAHSD11B1TPSAB1
SCHEMBL770576 0.80 EPHX2 (0.49) CHRM1LMNAHSD11B1HTTTPSAB1
SCHEMBL772269 0.80 ATM (0.44) CHRM1LMNAHSD11B1MEN1KMT2A
SCHEMBL771875 0.80 ATM (0.44) CHRM1LMNAHSD11B1MEN1KMT2A
SCHEMBL770761 0.80 ATM (0.44) CHRM1LMNAHSD11B1MEN1KMT2A

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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 144/4885PKM 1551/4885CHRM1 3030/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 142/4885PKM 1554/4885CHRM1 3021/4885

“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.