SCHEMBL21288332

SCHEMBL21288332

CC(=O)NCC1CCC(N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ CACNA1H O95180 1/20 0.41
▸ TLR4 O00206 1/20 0.37
▸ MTNR1A P48039 4/20 0.36
▸ MTNR1B P49286 4/20 0.36
▸ F2 P00734 1/20 0.35
▸ FUCA1 P04066 1/20 0.35
▸ CYP2D6 P10635 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ ENGASE Q8NFI3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL14504645 0.83 TDP1 (0.44) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL48633 0.81 — —
SCHEMBL13165688 0.81 TDP1 (0.58) TDP1CACNA1HMTNR1AMTNR1BFUCA1
Hydrochloric Acid SCHEMBL4553435 0.79 — —
SCHEMBL21695528 0.78 TDP1 (0.42) TDP1CACNA1HTLR4MTNR1AMTNR1B
SCHEMBL1898034 0.78 NPC1 (0.44) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL23236485 0.76 KMT2A (0.45) TDP1EPHX1
SCHEMBL6643358 0.76 KMT2A (0.45) TDP1EPHX1
SCHEMBL10147958 0.76 CYP2D6 (0.56) TDP1CACNA1HMTNR1AMTNR1BFUCA1
SCHEMBL14013458 0.76 CYP2D6 (0.56) TDP1CACNA1HMTNR1AMTNR1BFUCA1

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-11027242-B2 Nanofiltration membranes and methods of use NOVOMER, INC. (US) 2021-06-08 — — US disclosed
US-20190255488-A1 NANOFILTRATION MEMBRANES AND METHODS OF USE NOVOMER, INC. (US) 2019-08-22 — — 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-20190255488-A1 NANOFILTRATION MEMBRANES AND METHODS OF USE MLEC, EPCAM, LNPK TDP1 4710/4885CACNA1H 4445/4885TLR4 3544/4885
US-11027242-B2 Nanofiltration membranes and methods of use MLEC, EPCAM, LNPK TDP1 4710/4885CACNA1H 4445/4885TLR4 3544/4885

“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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