SCHEMBL22799838

SCHEMBL22799838

C=CC[C@@H](C=O)NC(=O)c1ccccc1OCCCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ TSHR P16473 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ FAAH O00519 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ GALR1 P47211 1/20 0.46
▸ CAPN1 P07384 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LIG1 P18858 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL22800133 0.89 LIG1 (0.46) ALDH1A1CAPN1MEN1KMT2ALIG1
SCHEMBL22800999 0.80 CAPN1 (0.47) TSHRCAPN1MAPTTHRB
SCHEMBL22800154 0.78 ALDH1A1 (0.46) ALDH1A1TSHRNPSR1CNR2FAAH
SCHEMBL22800135 0.78 CAPN1 (0.49) CAPN1MAPT
SCHEMBL22799718 0.77 CAPN1 (0.44) ALDH1A1TSHRNPSR1CNR2FAAH
SCHEMBL22799715 0.76 ALDH1A1 (0.48) ALDH1A1TSHRNPSR1CNR2FAAH
SCHEMBL7966210 0.76 TSHR (0.63) ALDH1A1TSHRNPSR1CNR2FAAH
SCHEMBL11264123 0.75 LMNA (0.54) ALDH1A1TSHRNPSR1CNR2FAAH
SCHEMBL22799711 0.74 CAPN1 (0.47) ALDH1A1CAPN1MEN1KMT2AKDM4E
SCHEMBL22799717 0.74 CAPN1 (0.47) CAPN1MEN1KMT2AKDM4E

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 ALDH1A1 3918/4885TSHR 4556/4885NPSR1 3724/4885

“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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