SCHEMBL21637716

SCHEMBL21637716

CC(NC(=O)CCC1CCNCC1)(C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ CHRM3 P20309 5/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL8878800 0.71 CHRM3 (0.59) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL15955100 0.70 MAPT (0.57) HDAC3HDAC1HDAC2KMT2ACYP2D6
SCHEMBL7972743 0.70 ITGB3 (0.51) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL27626467 0.69 KMT2A (0.54) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL11251566 0.68 KMT2A (0.68) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL6230136 0.67 TNKS2 (0.45) HDAC3HDAC1HDAC2LMNAITGB3
SCHEMBL27726277 0.67 MAPT (0.52) HDAC3HDAC1HDAC2KMT2AMAPT
SCHEMBL6665160 0.67 TDP1 (0.63) HDAC3HDAC1HDAC2KMT2AMEN1
SCHEMBL20556104 0.67 MEN1 (0.38) KMT2AMEN1LMNACYP2D6HRH1
SCHEMBL954535 0.67 ITGB3 (0.56) ITGB3ITGA2B

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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2021-06-24 — — US disclosed
WO-2020018434-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK SCRIPPS HEALTH (US) 2020-01-23 — — 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-20210187111-A1 COMPOSITIONS AND METHODS FOR DISRUPTING A MACROPHAGE NETWORK MSR1, CD68, CD209 HDAC3 536/4885HDAC1 710/4885HDAC2 1374/4885

“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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