SCHEMBL805213

SCHEMBL805213

CN[C@@H](CCCCN(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 12/20 0.40
▸ KDM4C Q9H3R0 12/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM7A Q6ZMT4 1/20 0.40
▸ PHF8 Q9UPP1 1/20 0.40
▸ KDM2A Q9Y2K7 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.35
▸ FOLH1 Q04609 2/20 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
SCHEMBL20732425 1.00 KDM4A (0.40) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL25657481 0.86 UTS2R (0.33) ALDH1A1FOLH1
SCHEMBL24157900 0.85 ALDH1A1 (0.37) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL19381471 0.85 ALDH1A1 (0.37) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL24642454 0.85 KDM4A (0.40) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL25358066 0.84 FOLH1 (0.38) ALDH1A1FOLH1
SCHEMBL25358064 0.84 FOLH1 (0.38) ALDH1A1FOLH1
SCHEMBL8171418 0.83 KDM4A (0.39) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL18373090 0.83 ALDH1A1 (0.36) KDM4AKDM4CKDM5AKDM7APHF8
SCHEMBL27383905 0.82 BHMT (0.42) KDM4AKDM4CKDM5APHF8FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2012-09-27 — — US disclosed
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 — — US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 — — US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 — — US disclosed
US-7972992-B2 Solid phase synthesis PRAECIS PHARMACEUTICALS, INC. (US) 2011-07-05 — — US disclosed
US-7935658-B2 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS, INC. (US) 2011-05-03 — — US disclosed
US-20090062147-A1 Methods for synthesis of encoded libraries PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-03-05 — — US disclosed
WO-2002007756-A1 MuO-CONOPEPTIDES AND THEIR USE AS LOCAL ANESTHETICS COGNETIX, INC. (US) 2002-01-31 — — 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 (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-20120245040-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT KDM4A 3412/4885KDM4C 2839/4885KDM5A 3150/4885
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT KDM4A 3412/4885KDM4C 2839/4885KDM5A 3150/4885

“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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