SCHEMBL3403515

SCHEMBL3403515

COc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
ALDH1A1 P00352 4/20 0.61
HRH3 Q9Y5N1 4/20 0.61
KDM4E B2RXH2 3/20 0.61
HTR3E A5X5Y0 2/20 0.61
HTR3B O95264 2/20 0.61
CYP1A2 P05177 2/20 0.61
HTR3A P46098 2/20 0.61
HTR3D Q70Z44 2/20 0.61
HTR3C Q8WXA8 2/20 0.61
THPO P40225 1/20 0.61
HRH4 Q9H3N8 1/20 0.61
KMT2A Q03164 3/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
HTR1A P08908 5/20 0.60
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 2/20 0.58

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
SCHEMBL6192022 0.80 NPC1 (0.67) NPC1RAB9AKDM4EHTR1ALMNA
SCHEMBL7695990 0.79 NPC1 (0.64) NPC1RAB9AALDH1A1KDM4EHTR3A
SCHEMBL6192921 0.78 HTR1A (0.67) NPC1RAB9AHTR1ADRD2DRD3
SCHEMBL606721 0.77 HRH3 (1.00) NPC1RAB9AALDH1A1HRH3KDM4E
SCHEMBL12962208 0.76 NPC1 (0.61) NPC1RAB9AKDM4EHTR1ALMNA
SCHEMBL10834319 0.76 HTR3A (0.62) NPC1RAB9AALDH1A1KDM4EHTR3E
SCHEMBL8011275 0.76 HTR1A (1.00) NPC1RAB9AHTR1ADRD2DRD3
SCHEMBL4317233 0.75 KDM4E (0.60) NPC1RAB9AALDH1A1HRH3KDM4E
SCHEMBL5664122 0.74 HRH3 (0.71) NPC1RAB9AALDH1A1HRH3KDM4E
SCHEMBL29604668 0.74 HRH3 (0.71) NPC1RAB9AALDH1A1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators NIH-DEITR 2017-07-06 US claimed
US-9572815-B2 Methods and compositions of p27KIP1 transcriptional modulators ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-02-21 US claimed
US-20160030445-A1 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-02-04 US claimed
WO-2014145205-A2 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTION MODULATORS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-09-18 WO claimed
CN-101990433-A Compounds that enhance atoh-1 expression BRIGHAM & WOMENS HOSPITAL 2011-03-23 CN claimed
EP-2254572-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION Massachusetts Eye & Ear Infirmary (US) 2010-12-01 EP claimed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US claimed
WO-2009100438-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-08-13 WO claimed
US-11160808-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2021-11-02 US disclosed
US-11160808-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2021-11-02 US disclosed
US-20200179394-A1 Compounds that Enhance Atoh1 Expression MASSACHUSETTS EYE & EAR INFIRMARY 2020-06-11 US disclosed
US-20200179394-A1 Compounds that Enhance Atoh1 Expression MASSACHUSETTS EYE & EAR INFIRMARY 2020-06-11 US disclosed
EP-2732819-B1 Compounds that enhance Atoh-1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2019-10-16 EP disclosed
EP-2732819-B1 Compounds that enhance Atoh-1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2019-10-16 EP disclosed
US-8188131-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2012-05-29 US disclosed
US-8188131-B2 Compounds that enhance Atoh1 expression MASSACHUSETTS EYE & EAR INFIRMARY (US) 2012-05-29 US disclosed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US disclosed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US disclosed
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-09-17 US disclosed
WO-2009100438-A2 COMPOUNDS THAT ENHANCE ATOH-1 EXPRESSION MASSACHUSETTS EYE & EAR INFIRMARY (US) 2009-08-13 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 (5 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-20170189477-A1 Methods and Compositions of P27KIP1 Transcriptional Modulators WNT1, CTNNB1, CTNNBL1 NPC1 1011/4885RAB9A 4314/4885ALDH1A1 877/4885
US-20200179394-A1 Compounds that Enhance Atoh1 Expression DACH1, EZH1, CREBBP NPC1 1018/4885RAB9A 3293/4885ALDH1A1 189/4885
US-20160030445-A1 METHODS AND COMPOSITIONS OF P27KIP1 TRANSCRIPTIONAL MODULATORS WNT1, CTNNB1, CTNNBL1 NPC1 966/4885RAB9A 4168/4885ALDH1A1 969/4885
US-20090232780-A1 COMPOUNDS THAT ENHANCE ATOH1 EXPRESSION DACH1, EZH1, CREBBP NPC1 1018/4885RAB9A 3293/4885ALDH1A1 189/4885
US-11160808-B2 Compounds that enhance Atoh1 expression DACH1, EZH1, CREBBP NPC1 1018/4885RAB9A 3293/4885ALDH1A1 189/4885

“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.