SCHEMBL17674734

SCHEMBL17674734

Cc1ccccc1NC(=O)N1CCc2ccccc2C1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ITGB1 P05556 3/20 0.52
▸ ITGA4 P13612 3/20 0.52
▸ ITGB3 P05106 2/20 0.52
▸ ITGAV P06756 2/20 0.52
▸ ITGA5 P08648 2/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ DRD1 P21728 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TRPM8 Q7Z2W7 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46

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
SCHEMBL17674691 0.87 DRD1 (0.53) SMN1; SMN2NPC1RAB9ADRD1POLB
SCHEMBL17674761 0.87 DRD1 (0.53) SMN1; SMN2NPC1RAB9ADRD1POLB
SCHEMBL17674641 0.86 DRD1 (0.49) SMN1; SMN2NPC1RAB9ADRD1POLB
SCHEMBL17674598 0.86 DRD1 (0.49) SMN1; SMN2NPC1RAB9ADRD1POLB
SCHEMBL17674635 0.86 TRPM8 (0.63) SMN1; SMN2NPC1RAB9ADRD1L3MBTL1
SCHEMBL17674644 0.83 DRD1 (0.61) NPC1RAB9ADRD1L3MBTL1POLB
SCHEMBL23327029 0.83 NPC1 (0.68) SMN1; SMN2NPC1RAB9ADRD1POLB
SCHEMBL17674718 0.82 DRD1 (0.60) SMN1; SMN2NPC1RAB9ADRD1POLB
SCHEMBL17674604 0.80 TAS1R3 (0.63) NPC1DRD1L3MBTL1POLBMEN1
SCHEMBL17674616 0.79 DRD1 (0.67) NPC1DRD1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001278-B Tetrahydroisoquinoline derivatives UCB生物制药私人有限公司 2020-11-24 — — CN disclosed
EP-3204359-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-01 — — EP disclosed
US-10105359-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2018-10-23 — — US disclosed
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 — — US disclosed
EP-3204359-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-16 — — EP disclosed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 — — 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 (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-20170304292-A1 Tetrahydroisoquinoline Derivatives OPRD1, ADRA1D, GPR52 SMN1; SMN2 2247/4885ITGB1 3366/4885ITGA4 3784/4885
US-10105359-B2 Tetrahydroisoquinoline derivatives OPRD1, ADRA1D, GPR52 SMN1; SMN2 2247/4885ITGB1 3366/4885ITGA4 3784/4885

“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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