SCHEMBL3190236

SCHEMBL3190236

CCc1ccc(N2C(=O)C3C4CCC(C5CC54)C3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ MGLL Q99685 1/20 0.49
▸ TRIP13 Q15645 1/20 0.47
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ADCY2 Q08462 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL3190648 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MGLLTRIP13POLBALDH1A1
SCHEMBL3190638 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MGLLTRIP13POLBALDH1A1
SCHEMBL3189411 0.88 MGLL (0.51) SMN1; SMN2MGLLTRIP13POLBALDH1A1
SCHEMBL3189416 0.88 MGLL (0.51) SMN1; SMN2MGLLTRIP13POLBALDH1A1
SCHEMBL3189426 0.88 MGLL (0.51) SMN1; SMN2MGLLTRIP13POLBALDH1A1
SCHEMBL3201222 0.82 MGLL (0.54) SMN1; SMN2MGLLALDH1A1KMT2AMEN1
SCHEMBL3201219 0.82 MGLL (0.54) SMN1; SMN2MGLLALDH1A1KMT2AMEN1
SCHEMBL3201214 0.82 MGLL (0.54) SMN1; SMN2MGLLALDH1A1KMT2AMEN1
SCHEMBL3180788 0.81 L3MBTL1 (0.46) SMN1; SMN2TRIP13POLBALDH1A1HPGD
SCHEMBL11594339 0.79 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HPGDHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US claimed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — US claimed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 — — US claimed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 SMN1; SMN2 3782/4885MGLL 4489/4885TRIP13 1308/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 SMN1; SMN2 3782/4885MGLL 4489/4885TRIP13 1308/4885

“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.

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