SCHEMBL5873673

SCHEMBL5873673

NCC(=O)N1CCNCC1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.45
HTR2C P28335 1/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9263281 0.88 FKBP1A (0.48) FKBP1AHTR2CSMN1; SMN2
SCHEMBL7300300 0.88 FKBP1A (0.48) FKBP1AHTR2CSMN1; SMN2
SCHEMBL4674934 0.86 HTR2C (0.52) FKBP1AHTR2CCYP2C19SMN1; SMN2
SCHEMBL7264269 0.81 FKBP1A (0.62) FKBP1A
Hydrochloric Acid SCHEMBL7265458 0.81 FKBP1A (0.61) FKBP1A
SCHEMBL9259424 0.81 KLK7 (0.48) FKBP1AHTR2C
SCHEMBL29072821 0.80 HTR2C (0.50) FKBP1AHTR2CSMN1; SMN2
SCHEMBL27736628 0.80 HTR2C (0.51) FKBP1AHTR2C
SCHEMBL27757498 0.80 HTR2C (0.51) FKBP1AHTR2C
SCHEMBL8948803 0.79 CYP2C19 (0.48) FKBP1AHTR2CCYP2C19SMN1; SMN2

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-7132295-B2 Isotopically coded affinity markers 3 BAYER AKTIENGESELLSCHAFT (DE) 2006-11-07 US disclosed
US-20050049406-A1 Isotopically coded affinity markers 3 BAYER AKTIENGESELLSCHAFT (DE) 2005-03-03 US disclosed
EP-1446665-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 Bayer HealthCare AG (DE) 2004-08-18 EP disclosed
WO-2003040288-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 BAYER HEALTHCARE AG (DE) 2003-05-15 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-20050049406-A1 Isotopically coded affinity markers 3 IGFBP3, FABP3, LGALS3BP FKBP1A 331/4885HTR2C 4458/4885CA1 577/4885

“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.