SCHEMBL1650533

SCHEMBL1650533

Fc1ccc(Cn2[c]nc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
HTR3A P46098 3/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR1A P08908 2/20 0.42
HTR2C P28335 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
TBXA2R P21731 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL356141 0.86 TNF (0.47) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL944723 0.85 TDP1 (0.51) RAB9ATBXA2RLMNAMAPTMEN1
SCHEMBL9696659 0.84 GRM2 (0.46) RAB9AMAPTMEN1ALDH1A1HTT
SCHEMBL2541667 0.80 HTT (0.52) RAB9AHTR3ATBXA2RLMNAMAPT
SCHEMBL9695569 0.78 TP53 (0.44) HTR3AHTR3EHTR3BHTR1AHTR2C
SCHEMBL945956 0.74 TNF (0.50) RAB9ALMNAMAPTMEN1ALDH1A1
SCHEMBL1381878 0.72 SLC9A1 (0.44) RAB9ALMNAMAPTMEN1ALDH1A1
SCHEMBL2103982 0.72 POLB (0.39) LMNAMAPTALDH1A1TSHRHTT
SCHEMBL5000372 0.70 MAPT (0.38) MAPTALDH1A1HTTSMN1; SMN2CYP2D6
SCHEMBL1300677 0.70 MAPT (0.50) RAB9AHTR3ALMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US claimed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US claimed
CN-1433411-A Compound (I) ASTRAZENECA AB (SE) 2003-07-30 CN claimed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP claimed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US claimed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO claimed
US-5283243-A Anti-inflammatory, anti-allergic, hypotensive and vasodilating agents KALI-CHEMIE PHARMA GMBH (DE) 1994-02-01 US claimed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
EP-1493743-B1 Substituted bipiperidine intermediates and derivatives thereof ASTRAZENECA AB (SE) 2008-09-03 EP disclosed
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
CN-1244576-C Compound (I) ASTRAZENECA AB (SE) 2006-03-08 CN disclosed
CN-1202894-A Substituted 4-(1H-benzimidzol-2-yl-amino) piepridines useful for the treatment of allergic diseases HOECHST MARION ROUSSEL INC (US) 1998-12-23 CN disclosed
WO-1997030989-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed
CN-1028103-C Preparation method of piperidyl benzimidazole compound MERRELL DOW PHARMA (US) 1995-04-05 CN disclosed
US-5283243-A Anti-inflammatory, anti-allergic, hypotensive and vasodilating agents KALI-CHEMIE PHARMA GMBH (DE) 1994-02-01 US disclosed
WO-1992006086-A1 NOVEL 4-PIPERIDINYLCARBONYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-16 WO disclosed
CN-1041940-A PIPERIDINYL BENZIMIDAZOLES MERRELL DOW PHARMA (US) 1990-05-09 CN 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-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 RAB9A 2344/4885HTR3A 392/4885HTR3E 372/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 RAB9A 2344/4885HTR3A 392/4885HTR3E 372/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 RAB9A 2344/4885HTR3A 392/4885HTR3E 372/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 RAB9A 2189/4885HTR3A 393/4885HTR3E 347/4885

“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.