SCHEMBL6359455

SCHEMBL6359455

CN(C)CCc1c[nH]c2ncccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.63
MTNR1A P48039 1/20 0.58
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
HTR2B P41595 2/20 0.58
HTR6 P50406 2/20 0.56
MET P08581 1/20 0.55
RET P07949 1/20 0.51
SLC6A4 P31645 2/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
HTR1D P28221 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL30886870 1.00 GPR84 (0.63) GPR84MTNR1AHTR1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL4869205 0.98 GPR84 (0.61) GPR84MTNR1AHTR1AHTR2AHTR2C
SCHEMBL25029946 0.88 GPR84 (0.59) GPR84MTNR1AHTR1AHTR2AHTR6
SCHEMBL25030247 0.85 GPR84 (0.56) GPR84MTNR1AHTR1AHTR2AHTR2C
SCHEMBL32669271 0.85 HTR1A (0.60) GPR84MTNR1AHTR1AHTR2AHTR6
SCHEMBL46562 0.84 GPR84 (0.67) GPR84MTNR1AHTR2AHTR6MET
SCHEMBL31745795 0.83 HTR1A (0.61) GPR84MTNR1AHTR1AHTR2AHTR2C
Iodide SCHEMBL4717370 0.83 GPR84 (0.65) GPR84MTNR1AHTR2AHTR6MET
SCHEMBL857145 0.82 GPR84 (0.69) GPR84MTNR1AHTR2AHTR6MET
SCHEMBL7010590 0.82 GPR84 (0.73) GPR84MTNR1AMETCCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 EP claimed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 US disclosed
US-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor Kuleon, LLC (US) 2023-10-10 US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 US disclosed
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR Kuleon, LLC (US) 2023-08-17 US disclosed
WO-2023115165-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023018864-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-16 WO disclosed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
CN-1568184-A Use of nicotinic acetylcholine receptor agonists for the treatment of restless legs syndrome PFIZER (US) 2005-01-19 CN disclosed
EP-1439836-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
WO-2003037329-A1 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME PFIZER PRODUCTS INC. (US) 2003-05-08 WO disclosed
EP-1178045-A1 Azaindole-ethylamine derivatives as nicotine acetylchlorine receptor binding agents PFIZER INC. (US) 2002-02-06 EP disclosed
US-5977131-A Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1999-11-02 US disclosed
EP-0870768-A1 Azaindole-ethylamine derivatives as nicotinic acetylcholine receptor binding agents PFIZER INC. (US) 1998-10-14 EP disclosed
EP-0730582-A1 ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-09-11 EP disclosed
WO-1995014672-A1 ISOXAZOLE AND PYRAZOLE DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-06-01 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 (4 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-11780807-B2 Benzoselenophene, benzothiophene, and benzofuran analogs and methods of modulating the serotonin 5-HT2C receptor HTR2C, HTR2A, HTR3C GPR84 294/4885MTNR1A 124/4885HTR1A 8/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 GPR84 136/4885MTNR1A 57/4885HTR1A 118/4885
US-20230257346-A1 BENZOSELENOPHENE AND SELENOPHENOPYRIDINE ANALOGS AND METHODS OF MODULATING THE SEROTONIN 5-HT2C RECEPTOR HTR2C, HTR2A, HTR3B GPR84 482/4885MTNR1A 293/4885HTR1A 9/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 GPR84 72/4885MTNR1A 79/4885HTR1A 64/4885

“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.