SCHEMBL7253237

SCHEMBL7253237

N[C@H]1CC=CC2CN(Cc3ccccc3)CCN2C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 6/20 0.42
▸ SIGMAR1 Q99720 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 2/20 0.37
▸ CHRM3 P20309 2/20 0.37

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
Trifluoroacetic Acid SCHEMBL7251980 0.91 CPB2 (0.39) TACR1SIGMAR1ALDH1A1
SCHEMBL7246639 0.80 FPR2 (0.43) TACR1SIGMAR1
SCHEMBL7543008 0.75 SIGMAR1 (0.45) TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL13875780 0.72 SIGMAR1 (0.50) TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL3614775 0.72 SIGMAR1 (0.50) TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL3604123 0.70 SIGMAR1 (0.65) TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL5791105 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4843507 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL4839870 0.69 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL27793229 0.68 TACR1 (0.62) TACR1SIGMAR1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6525044-B2 Treatment of neurological disorders related to beta -amyloid production such as Alzheimer's disease and Down's Syndrome. BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 — — US disclosed
EP-1261610-A2 SUCCINOYLAMINO CARBOCYCLES AND HETEROCYCLES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-12-04 — — EP disclosed
US-20020055501-A1 Succinoylamino carbocycles and heterocycles as inhibitors of a-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-09 — — US disclosed
WO-2001060826-A2 SUCCINOYLAMINO CARBOCYCLES AND HETEROCYCLES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-08-23 — — 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-20020055501-A1 Succinoylamino carbocycles and heterocycles as inhibitors of a-beta protein production APP, APH1A, APH1B TACR1 2007/4885SIGMAR1 4527/4885ALDH1A1 3189/4885

“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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