SCHEMBL2843665

SCHEMBL2843665

CN1CCN(C(CN)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 7/20 0.62
CYP2D6 P10635 3/20 0.59
CHRM2 P08172 2/20 0.59
ADRA2A P08913 2/20 0.59
CHRM1 P11229 2/20 0.59
DRD1 P21728 2/20 0.59
DRD3 P35462 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KCNH2 Q12809 2/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM3 P20309 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HRH1 P35367 1/20 0.59
OPRM1 P35372 1/20 0.59
HTR2B P41595 1/20 0.59
CCR3 P51677 3/20 0.56

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
SCHEMBL25375773 1.00 MC4R (0.62) MC4RCYP2D6CHRM2ADRA2ACHRM1
SCHEMBL2836180 0.84 CCR3 (0.50) MC4RCYP2D6CHRM2ADRA2ACHRM1
SCHEMBL14593276 0.84 MC4R (0.69) MC4RCYP2D6CHRM2ADRA2ACHRM1
SCHEMBL15017817 0.83 CYP1A2 (0.62) CYP2D6KCNH2HTR2ARPS6KB1SLC6A2
SCHEMBL468998 0.83 CYP1A2 (0.62) CYP2D6KCNH2HTR2ARPS6KB1SLC6A2
SCHEMBL8514562 0.83 CYP1A2 (0.58) MC4RCYP2D6KCNH2HTR2ARPS6KB1
SCHEMBL3473785 0.83 MC4R (0.52) MC4RCCR3RPS6KB1
SCHEMBL26921276 0.83 CHRM2 (0.55) MC4RCYP2D6CHRM2ADRA2ACHRM1
SCHEMBL3592854 0.82 MC4R (0.62) MC4RCYP2D6CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL3600790 0.81 CYP1A2 (0.61) CYP2D6SLC6A3KCNH2HTR2ARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092001-A1 NOVEL EXCITATORY AMINO ACID GLUTAMATE TRANSPORT MODULATORS AND METHODS USING THE SAME UNIV DREXEL (US) 2025-03-20 US disclosed
CN-118946550-A Novel excitatory amino acid glutamate transport modulators and methods of use thereof 德雷克塞尔大学 2024-11-12 CN disclosed
WO-2023146831-A1 NOVEL EXCITATORY AMINO ACID GLUTAMATE TRANSPORT MODULATORS AND METHODS USING THE SAME DREXEL UNIVERSITY (US) 2023-08-03 WO disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 WO disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 WO disclosed
US-6235732-B1 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; SKIN DISORDERS BOEHRINGER INGELHEIM KG (DE) 2001-05-22 US disclosed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 US disclosed
US-5708006-A ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM KG (DE) 1998-01-13 US disclosed
US-5696123-A ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER BOEHRINGER INGELHEIM KG (DE) 1997-12-09 US disclosed
EP-0781277-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1997-07-02 EP disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 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 (3 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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT MC4R 2957/4885CYP2D6 367/4885CHRM2 4361/4885
US-20250092001-A1 NOVEL EXCITATORY AMINO ACID GLUTAMATE TRANSPORT MODULATORS AND METHODS USING THE SAME SLC1A2, SLC1A3, SLC1A1 MC4R 2326/4885CYP2D6 4399/4885CHRM2 2160/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF MC4R 3624/4885CYP2D6 1718/4885CHRM2 1153/4885

“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.