SCHEMBL533866

SCHEMBL533866

CC(=O)NCCc1ccccc1Br

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.61
MTNR1B P49286 9/20 0.61
TAAR1 Q96RJ0 1/20 0.59
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
NQO2 P16083 3/20 0.50
KDM4E B2RXH2 1/20 0.47
F13A1 P00488 1/20 0.47

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
SCHEMBL29686650 1.00 MTNR1A (0.61) MTNR1AMTNR1BTAAR1MEN1LMNA
SCHEMBL2543023 0.90 MTNR1A (0.52) MTNR1AMTNR1BTAAR1
SCHEMBL3638162 0.84 TAAR1 (0.56) MTNR1AMTNR1BTAAR1LMNAKMT2A
SCHEMBL12851863 0.83 TAAR1 (0.56) MTNR1AMTNR1BTAAR1KMT2ANQO2
SCHEMBL30878491 0.83 TAAR1 (0.56) MTNR1AMTNR1BTAAR1CYP1A2CYP2C19
SCHEMBL33530786 0.83 TAAR1 (0.56) MTNR1AMTNR1BTAAR1
SCHEMBL5988458 0.81 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL102342 0.81 RIPK1 (0.61) MTNR1AMEN1LMNAPKMKMT2A
SCHEMBL8229644 0.81 MTNR1A (0.65) MTNR1AMTNR1BMEN1LMNACYP1A2
SCHEMBL1039416 0.80 MTNR1A (0.63) MTNR1AMTNR1BMEN1LMNACYP1A2

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3993795-B1 A SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVE AS A D1 POSITIVE ALLOSTERIC MODULATOR UCB Biopharma SRL (BE) 2026-04-22 EP disclosed
US-12358890-B2 Substituted tetrahydroisoquinoline derivative as a D1 positive allosteric modulator UCB Biopharma SRL (BE) 2025-07-15 US disclosed
US-20240043400-A1 Octahydroisoquinolinyl Derivatives UCB Biopharma SRL (BE) 2024-02-08 US disclosed
CN-116897150-A Novel bifunctional molecules for protein-targeted degradation 安菲斯塔治疗有限公司 2023-10-17 CN disclosed
US-20230219923-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219923-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-07-13 US disclosed
CN-115867346-A Kinase inhibitors GB005股份有限公司 2023-03-28 CN disclosed
US-20220251064-A1 A Substituted Tetrahydroisoquinoline Derivative as a D1 Positive Allosteric Modulator UCB Biopharma SRL (BE) 2022-08-11 US disclosed
WO-2022129925-A1 NOVEL BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2022-06-23 WO disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
CN-101501036-A Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA (DE) 2009-08-05 CN disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 WO disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (5 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-12358890-B2 Substituted tetrahydroisoquinoline derivative as a D1 positive allosteric modulator OPRD1, ADRA1D, GPR52 MTNR1A 14/4885MTNR1B 43/4885TAAR1 201/4885
US-20220251064-A1 A Substituted Tetrahydroisoquinoline Derivative as a D1 Positive Allosteric Modulator OPRD1, ADRA1D, GPR52 MTNR1A 15/4885MTNR1B 29/4885TAAR1 201/4885
US-20230219923-A1 KINASE INHIBITORS BTK, ABL1, LYN MTNR1A 2813/4885MTNR1B 2932/4885TAAR1 3038/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 MTNR1A 462/4885MTNR1B 345/4885TAAR1 571/4885
US-20240043400-A1 Octahydroisoquinolinyl Derivatives OPRD1, OPRK1, OPRL1 MTNR1A 53/4885MTNR1B 70/4885TAAR1 267/4885

“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.