SCHEMBL404339

SCHEMBL404339

CCCN1CCNCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
DRD2 P14416 2/20 0.44
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
MITF O75030 1/20 0.39

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
SCHEMBL27506411 0.90 TAAR1 (0.44) TAAR1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL470870 0.87 P2RX7 (0.43) TAAR1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL410563 0.87 P2RX7 (0.43) TAAR1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL4977025 0.84 SLC18A3 (0.44) TAAR1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL10409483 0.84 SLC6A2 (0.40) TAAR1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL11706707 0.84 TSHR (0.38) TAAR1SLC6A2SLC6A4SLC6A3CHRNB2
Acetic Acid SCHEMBL27463978 0.84 KCNH2 (0.43) TAAR1DRD3
SCHEMBL470840 0.84 CHRNB2 (0.41) TAAR1SLC6A2SLC6A4SLC6A3CHRNB2
SCHEMBL10409487 0.82 SIGMAR1 (0.39) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10958845 0.82 SLC18A3 (0.39) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529942-B A kind of synthetic method of Vanoxerine 天津孚音生物科技发展有限公司 2018-05-15 CN claimed
CN-104529942-A Synthetic method for vanoxerine TIANJIN FUYIN PHARMACEUTICAL INNOVATION CO LTD 2015-04-22 CN claimed
US-20240082176-A1 DROPROPIZINE IN COMBINATION WITH AMBROXOL IN THE DOSAGE FORM OF SYRUP AND TABLETS PRODUCTOS FARMACEUTICOS, S.A. DE C.V. (MX) 2024-03-14 US disclosed
US-20210128496-A1 DROPROPIZINE IN COMBINATION WITH AMBROXOL IN THE DOSAGE FORM OF SYRUP OR TABLETS Productos Farmaceuticos, S.A. DE C.V.s (MX) 2021-05-06 US disclosed
CN-104529942-B A kind of synthetic method of Vanoxerine 天津孚音生物科技发展有限公司 2018-05-15 CN disclosed
EP-1773779-B1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV LAVAL (CA) 2013-12-04 EP disclosed
US-8557804-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-15 US disclosed
US-8551983-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-08 US disclosed
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2012-01-26 US disclosed
US-8039459-B2 especially dimethylphenylpiperazinium; treating a variety of pulmonary diseases with fewer side effects than other anti-inflammatory drugs, such as steroids UNIVERSITE LAVAL (CA) 2011-10-18 US disclosed
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases UNIVERSITE LAVAL (CA) 2008-09-11 US disclosed
EP-1773779-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2007-04-18 EP disclosed
WO-2006005195-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITé LAVAL (CA) 2006-01-19 WO disclosed
US-4619929-A SEDATIVES, HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
US-4619929-A SEDATIVES, HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
EP-0056866-B1 PHENYLPIPERAZINE DERIVATIVES OF HETERYLPHENOLS AND HETARYLANILINES, THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1985-06-19 EP disclosed
EP-0056866-A2 Phenylpiperazine derivatives of heterylphenols and hetarylanilines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1982-08-04 EP disclosed
EP-0056866-A2 Phenylpiperazine derivatives of heterylphenols and hetarylanilines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1982-08-04 EP 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-20210128496-A1 DROPROPIZINE IN COMBINATION WITH AMBROXOL IN THE DOSAGE FORM OF SYRUP OR TABLETS QDPR, IL5, CYP3A5 TAAR1 2140/4885DRD2 56/4885DRD1 138/4885
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases CHRNA1, CHRNG, CHRM1 TAAR1 30/4885DRD2 1400/4885DRD1 1947/4885
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES CHRNA1, CHRNG, CHRM1 TAAR1 30/4885DRD2 1400/4885DRD1 1947/4885
US-20240082176-A1 DROPROPIZINE IN COMBINATION WITH AMBROXOL IN THE DOSAGE FORM OF SYRUP AND TABLETS QDPR, IL5, CYP3A5 TAAR1 2071/4885DRD2 58/4885DRD1 139/4885

“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.