SCHEMBL23200068

SCHEMBL23200068

O=C(NCCc1ccccc1)N(Cc1ccco1)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
EPHX2 P34913 2/20 0.45
TP53 P04637 1/20 0.45
EPHX1 P07099 1/20 0.45
OPRM1 P35372 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL23200171 0.82 UBE2M (0.49) ALDH1A1TSHRLMNANPSR1RAB9A
SCHEMBL23699893 0.81 ALDH1A1 (0.63) ALDH1A1TSHRLMNANPSR1MAPK1
SCHEMBL23699879 0.80 ALDH1A1 (0.68) ALDH1A1LMNANPSR1RAB9ANPC1
SCHEMBL23200188 0.78 ALDH1A1 (0.46) ALDH1A1TSHRLMNANPSR1RAB9A
SCHEMBL23200119 0.76 TSHR (0.54) ALDH1A1TSHRLMNANPSR1RAB9A
SCHEMBL23200002 0.74 SLC2A1 (0.42) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL23200037 0.72 HTT (0.47) ALDH1A1LMNANPSR1RAB9ANPC1
SCHEMBL23200060 0.71 UBE2M (0.67) ALDH1A1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL19002782 0.69 HTT (0.51) ALDH1A1TSHRLMNANPSR1MAPK1
SCHEMBL342508 0.69 OPRM1 (0.56) OPRM1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US claimed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP claimed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
EP-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ALDH1A1 606/4885TSHR 343/4885LMNA 4541/4885

“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.