SCHEMBL1550170

SCHEMBL1550170

O=c1[nH]ccc2c1CCN(Cc1ccccc1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.56
ACHE P22303 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
PNMT P11086 1/20 0.50
CLPP Q16740 1/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
DRD4 P21917 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL12973465 0.89 PNMT (0.57) SLC6A5ACHEKDM4EALDH1A1HPGD
SCHEMBL19643991 0.80 ACHE (0.52) SLC6A5ACHEPNMTADRA2AADRA2B
SCHEMBL26099470 0.78 SLC6A5 (0.56) SLC6A5ACHEKDM4EALDH1A1HPGD
SCHEMBL27224412 0.77 SLC6A5 (0.62) SLC6A5ACHEKDM4EALDH1A1HPGD
SCHEMBL22481965 0.77 PNMT (0.51) SLC6A5ACHEPNMTADRA2AADRA2B
SCHEMBL1550311 0.76 KDM4E (0.63) SLC6A5ACHEKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL3188334 0.75 KDM4E (0.61) SLC6A5ACHEKDM4EALDH1A1HPGD
SCHEMBL2344021 0.74 SLC6A5 (0.71) SLC6A5ACHEKDM4EALDH1A1HPGD
SCHEMBL23706050 0.74 SLC6A5 (0.49) SLC6A5ACHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL1015636 0.73 SLC6A5 (0.54) SLC6A5ACHEPNMTADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-20130296333-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2013-11-07 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-8242124-B2 Diketopiperidine derivatives as HIV attachment inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-14 US disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
WO-2009158396-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
WO-2009158396-A1 DIKETOPIPERIDINE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-30 WO disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US 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-20130296333-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SLC6A5 2895/4885ACHE 4525/4885KDM4E 789/4885
US-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 SLC6A5 3148/4885ACHE 2181/4885KDM4E 2413/4885
US-20090325985-A1 Diketopiperidine Derivatives as HIV Attachment Inhibitors SAMHD1, CD4, DNPEP SLC6A5 4035/4885ACHE 3852/4885KDM4E 1026/4885

“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.