SCHEMBL5596771

SCHEMBL5596771

CC(C)C(=O)NC1C[CH]CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
KDM5A P29375 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
EPHX1 P07099 1/20 0.36
NFKB1 P19838 1/20 0.36
EPHX2 P34913 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 1/20 0.35
FASN P49327 1/20 0.35

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
SCHEMBL2104583 0.81 MTNR1A (0.40) TSHRHTTHSD17B10MTNR1AMTNR1B
SCHEMBL5596962 0.81 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2KDM5ATP53
SCHEMBL7005369 0.79 ALDH1A1 (0.43) MTNR1AMTNR1BATMSMN1; SMN2HPGD
SCHEMBL5597078 0.79 ALDH1A1 (0.43) MTNR1AMTNR1BATMSMN1; SMN2HPGD
SCHEMBL8275256 0.78 ATM (0.48) ATMSMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL7917171 0.78 ATM (0.53) ATMSMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL19426214 0.77 ATM (0.56) ATMSMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL221845 0.77 ATM (0.56) ATMSMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL14521518 0.77 ATM (0.56) ATMSMN1; SMN2NPC1RAB9AEPHX1
SCHEMBL19426006 0.77 ATM (0.56) ATMSMN1; SMN2NPC1RAB9AEPHX1

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
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A TSHR 699/4885HTT 2750/4885HSD17B10 3509/4885

“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.