SCHEMBL17674644

SCHEMBL17674644

CC1c2ccccc2CCN1C(=O)Nc1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 2/20 0.61
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ TAS1R2 Q8TE23 2/20 0.51
▸ NPC1 O15118 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ HTR1D P28221 2/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL17674575 0.87 DRD1 (0.67) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674681 0.87 DRD1 (0.67) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674616 0.87 DRD1 (0.67) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674734 0.83 SMN1; SMN2 (0.61) DRD1NPC1POLBTRPM8MEN1
SCHEMBL17674718 0.83 DRD1 (0.60) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674604 0.83 TAS1R3 (0.63) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674641 0.82 DRD1 (0.49) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674635 0.82 TRPM8 (0.63) DRD1TAS1R3TAS1R1NPC1POLB
SCHEMBL17674598 0.82 DRD1 (0.49) DRD1TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL17674643 0.81 DRD1 (0.52) DRD1TAS1R3TAS1R1TAS1R2NPC1

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
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 9/4885TAS1R3 1277/4885TAS1R1 750/4885
US-10105359-B2 Tetrahydroisoquinoline derivatives OPRD1, ADRA1D, GPR52 DRD1 9/4885TAS1R3 1277/4885TAS1R1 750/4885

“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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