SCHEMBL2162877

SCHEMBL2162877

CNc1ccc(-c2ccc3cccnc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NR4A2 P43354 1/20 0.47
GSK3B P49841 1/20 0.47
TRPV1 Q8NER1 2/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
EGFR P00533 1/20 0.42
DYRK1A Q13627 1/20 0.41
P2RY14 Q15391 2/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL2164236 0.87 NPC1 (0.70) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL3072828 0.86 ALDH1A1 (0.58) ALDH1A1NPC1POLBMEN1KMT2A
SCHEMBL29697303 0.86 ALDH1A1 (0.58) ALDH1A1NPC1POLBMEN1KMT2A
SCHEMBL29485612 0.84 NPC1 (0.68) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL3726615 0.84 NPC1 (0.68) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL12386953 0.81 ALDH1A1 (0.72) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL12075052 0.80 NPC1 (0.59) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL6005419 0.80 NPC1 (0.59) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL30433691 0.79 NPC1 (0.57) ALDH1A1NPC1POLBRAB9AMEN1
SCHEMBL22269645 0.77 ALDH1A1 (0.72) ALDH1A1NPC1POLBRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310441-B1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES 89BIO LTD (IL) 2020-07-29 EP claimed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ALDH1A1 3291/4885NPC1 68/4885POLB 3035/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 ALDH1A1 3926/4885NPC1 143/4885POLB 2199/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 ALDH1A1 3291/4885NPC1 68/4885POLB 3035/4885

“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.