SCHEMBL17674641

SCHEMBL17674641

C[C@H]1c2ccccc2CCN1C(=O)Nc1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ TRPM8 Q7Z2W7 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ SHMT2 P34897 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL17674598 1.00 DRD1 (0.49) DRD1NPC1POLBTRPM8SMN1; SMN2
SCHEMBL17674734 0.86 SMN1; SMN2 (0.61) DRD1NPC1POLBTRPM8SMN1; SMN2
SCHEMBL17674635 0.85 TRPM8 (0.63) DRD1NPC1POLBTRPM8SMN1; SMN2
SCHEMBL17674721 0.82 DRD1 (0.47) DRD1NPC1POLBTRPM8RAB9A
SCHEMBL17674644 0.82 DRD1 (0.61) DRD1NPC1POLBTRPM8RAB9A
SCHEMBL23327029 0.82 NPC1 (0.68) DRD1NPC1POLBTRPM8SMN1; SMN2
SCHEMBL17674643 0.82 DRD1 (0.52) DRD1NPC1POLBTRPM8SMN1; SMN2
SCHEMBL17674770 0.81 POLB (0.55) DRD1NPC1POLBSMN1; SMN2LMNA
SCHEMBL17674604 0.79 TAS1R3 (0.63) DRD1NPC1POLBMAPTTAS1R3
SCHEMBL17674691 0.79 DRD1 (0.53) DRD1NPC1POLBSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304292-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2017-10-26 — — US claimed
EP-3204359-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2017-08-16 — — EP claimed
WO-2016055479-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-04-14 — — WO claimed
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 DRD1 9/4885NPC1 1608/4885POLB 2513/4885
US-10105359-B2 Tetrahydroisoquinoline derivatives OPRD1, ADRA1D, GPR52 DRD1 9/4885NPC1 1608/4885POLB 2513/4885

“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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