SCHEMBL5158943

SCHEMBL5158943

O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HSD11B1 P28845 4/20 0.56
EPHX1 P07099 6/20 0.50
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
EPHX2 P34913 3/20 0.43
FAAH O00519 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6504693 0.85 EPHX1 (0.53) TSHRHSD11B1EPHX1ALDH1A1MAPT
SCHEMBL5157962 0.84 EPHX2 (0.46) TSHRHSD11B1EPHX1ALDH1A1MAPT
SCHEMBL6502473 0.81 EPHX1 (0.46) TSHRHSD11B1EPHX1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5154837 0.79 HSD11B1 (0.56) TSHRHSD11B1EPHX1ALDH1A1KMT2A
SCHEMBL5160293 0.78 HSD11B1 (0.55) TSHRHSD11B1EPHX1ALDH1A1KMT2A
SCHEMBL6504405 0.76 HSD11B1 (0.53) TSHRHSD11B1EPHX1ALDH1A1KMT2A
SCHEMBL5157601 0.74 HSD11B1 (0.51) TSHRHSD11B1EPHX1ALDH1A1KMT2A
SCHEMBL9108708 0.72 GRM2 (0.53) HSD11B1CNR1CNR2
SCHEMBL9108702 0.72 GRM2 (0.53) HSD11B1CNR1CNR2
SCHEMBL5157050 0.72 EPHX2 (0.44) TSHRHSD11B1EPHX1EPHX2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 EP disclosed
US-20050261290-A1 Novel compounds of proline and morpholine derivatives CHENG HENGMIAO 2005-11-24 US disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 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-20050261290-A1 Novel compounds of proline and morpholine derivatives CYP11B1, HSD11B1, CYP11B2 TSHR 2376/4885HSD11B1 2/4885EPHX1 810/4885

“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.