SCHEMBL7068386

SCHEMBL7068386

CCCC(C(N)=O)C(CC(C)C)C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.53
▸ KDM4E B2RXH2 10/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ TSHR P16473 2/20 0.52
▸ ADRB2 P07550 1/20 0.51
▸ ALOX15 P16050 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PANK3 Q9H999 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL7068390 1.00 ALDH1A1 (0.53) ALDH1A1KDM4ENPSR1HSD17B10TSHR
SCHEMBL7066749 0.87 MEN1 (0.45) ALDH1A1KDM4EHSD17B10KMT2ASMN1; SMN2
SCHEMBL7066752 0.87 MEN1 (0.45) ALDH1A1KDM4EHSD17B10KMT2ASMN1; SMN2
SCHEMBL7087655 0.85 GAA (0.51) ALDH1A1KDM4ENPSR1TSHRKMT2A
SCHEMBL7087657 0.85 GAA (0.51) ALDH1A1KDM4ENPSR1TSHRKMT2A
SCHEMBL7065449 0.83 ITGB3 (0.40) ALDH1A1TSHRCYP2C9SMN1; SMN2
SCHEMBL7065445 0.83 ITGB3 (0.40) ALDH1A1TSHRCYP2C9SMN1; SMN2
SCHEMBL7071239 0.82 SMN1; SMN2 (0.56) ALDH1A1KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL7071236 0.82 SMN1; SMN2 (0.56) ALDH1A1KDM4EKMT2ACYP3A4CYP2C9
SCHEMBL7066741 0.82 TSHR (0.46) ALDH1A1NPSR1TSHR

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-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production THOMPSON LORIN A (US) 2003-12-18 — — US disclosed
US-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-17 — — 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-20030073701-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A ALDH1A1 3091/4885KDM4E 3430/4885NPSR1 1539/4885
US-20030232985-A1 Succinoylamino heterocycles as inhibitors of a beta protein production APP, BACE1, APH1A ALDH1A1 3091/4885KDM4E 3430/4885NPSR1 1539/4885

“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.

Send feedback