SCHEMBL18118469

SCHEMBL18118469

CN1CCN(C)CCN(CC(=O)ON2C(=O)CCC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PAOX Q6QHF9 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL10475746 1.00 ALOX15 (0.37) ALOX15ALDH1A1TSHRLMNAGAA
SCHEMBL12906770 1.00 ALOX15 (0.37) ALOX15ALDH1A1TSHRLMNAGAA
SCHEMBL12238070 0.94 LMNA (0.36) ALOX15ALDH1A1TSHRLMNAGAA
SCHEMBL437100 0.94 LMNA (0.36) ALOX15ALDH1A1TSHRLMNAGAA
SCHEMBL12094406 0.87 POLB (0.38) KMT2ARECQLMEN1
SCHEMBL20750016 0.87 KMT2A (0.41) ALDH1A1LMNAGAAKMT2AKDM4E
SCHEMBL26382118 0.85 SMN1; SMN2 (0.33) ALDH1A1TSHRLMNASMN1; SMN2KDM4E
SCHEMBL15518427 0.85 HSD17B10 (0.39) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL560792 0.85 HSD17B10 (0.39) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1241402 0.83 GAA (0.41) ALDH1A1GAASMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287731-A1 Compounds for Positron Emission Tomography ENDOCYTE, INC 2016-10-06 — — 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 (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-20160287731-A1 Compounds for Positron Emission Tomography FOLH1, FOLR2, FOLR1 ALOX15 2723/4885ALDH1A1 2485/4885TSHR 1368/4885

“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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