SCHEMBL217998

SCHEMBL217998

Clc1ccc2[c]ccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.47
SOS2 Q07890 1/20 0.44
CYP1A2 P05177 1/20 0.40
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
DYRK1A Q13627 1/20 0.38
CCR1 P32246 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHKA P35790 2/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4455873 0.86 NR4A2 (0.43) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL855089 0.78 FERMT2 (0.35) MAPTKMT2APDGFRBPDGFRAFERMT2
SCHEMBL1496286 0.78 HTT (0.46) CYP1A2
SCHEMBL4471481 0.78 ALDH1A1 (0.46) CYP1A2MAPTKMT2ACCR1MEN1
SCHEMBL1496350 0.77 MAPK13 (0.34) DYRK1AKMT5BKMT5C
SCHEMBL5926025 0.73 NR4A2 (0.50) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL22121598 0.73 RECQL (0.39) DYRK1AHSD17B10
SCHEMBL22121606 0.73 PIK3CA (0.41) MAPTDYRK1APDGFRBPDGFRA
SCHEMBL5746853 0.73 NOS3 (0.39) CYP1A2MAPTKMT2AHSD17B10MEN1
SCHEMBL946296 0.73 NOS3 (0.39) DYRK1APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115023418-A Bis-aminoquinoline and nanoformulation for cancer treatment 加利福尼亚大学董事会 2022-09-06 CN claimed
US-9044478-B2 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-06-02 US claimed
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2013-12-12 US claimed
US-8530475-B2 Serotonin reuptake inhibitors and antagonists of the serotonin 1A receptor; compounds are based on 7,9-diazabicyclo(4.2.2)dec-3-ene ring JANSSEN PHARMACEUTICA NV 2013-09-10 US claimed
WO-2012048894-A1 HYBRID COMPOUNDS OF 4- AND 8-AMINOQUINOLINES FOR THE PROPHYLACTIC AND THERAPEUTIC TREATMENT OF MALARIA AND OTHER PARASITIC DISEASES JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2012-04-19 WO claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
JP-4338974-B2 2009-10-07 JP claimed
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases UNIVERSITE DU DROIT ET DE LA SANTE- LILLE II (FR) 2009-06-11 US claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
US-6482947-B1 Substituted (hetero) aryl compounds, process for their preparation, agents containing them and their use as safeners HOECHST AKTIENGESELLSCHAFT (DE) 2002-11-19 US claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
EP-0477049-B1 Amido-3-pyrazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 1999-12-01 EP claimed
EP-0154528-B1 ALKENE, ALKYNE OR CYCLOALKYLENE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-11 EP claimed
US-4873329-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-10 US claimed
EP-0154528-A2 Alkene, alkyne or cycloalkylene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-11 EP claimed
US-4524146-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1985-06-18 US claimed
US-4259335-A 1-Methyl-4-piperidinol esters of 4-quinolinylamino benzoates and antiinflammatory and analgesic compositions and methods employing them SCIENCE UNION ET CIE, SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-03-31 US claimed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 US claimed

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-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases PSEN1, PSEN2, SNCA NR4A2 3479/4885SOS2 4696/4885CYP1A2 1518/4885
US-20130331395-A1 BRIDGED ARYL PIPERAZINES DERIVATIVES USEFUL FOR THE TREATMENT OF CNS, GI-URINARY AND REPRODUCTIVE DISORDERS HTR1A, HTR5A, TPH1 NR4A2 929/4885SOS2 4524/4885CYP1A2 91/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT NR4A2 1477/4885SOS2 4349/4885CYP1A2 146/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NR4A2 2862/4885SOS2 2649/4885CYP1A2 149/4885

“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.