SCHEMBL17957591

SCHEMBL17957591

CC1NCCOc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
PNMT P11086 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
AHR P35869 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
DRD2 P14416 3/20 0.33
HSD17B10 Q99714 2/20 0.33
DRD3 P35462 2/20 0.33
MAOA P21397 2/20 0.33
PBRM1 Q86U86 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL17957962 0.87 ADRA2A (0.44) ADRA2AMAPTLMNAHTTBLM
SCHEMBL17960440 0.81 ADRA2A (0.42) ADRA2AMAPTLMNAHTTBLM
SCHEMBL13091452 0.76 ITGB2 (0.41) LMNAHTTHTR2CHTR2AHTR2B
SCHEMBL29990871 0.76 ITGB2 (0.41) LMNAHTTHTR2CHTR2AHTR2B
SCHEMBL17957716 0.76 ALDH1A1 (0.44) LMNAKDM4ETSHRALDH1A1
SCHEMBL17960208 0.76 ALDH1A1 (0.44) LMNAKDM4ETSHRALDH1A1
SCHEMBL17957717 0.76 ALDH1A1 (0.44) LMNAKDM4ETSHRALDH1A1
SCHEMBL19889279 0.75 ADRA2A (0.50) ADRA2AMAPTLMNAHTTBLM
SCHEMBL20928282 0.73 CHRNB2 (0.40) MAPTLMNAKDM4ECYP2C9TSHR
SCHEMBL1010996 0.71 MAOA (0.54) ADRA2AHTR2CHTR2AHTR2BPNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 US disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 US disclosed
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2021-01-14 US disclosed
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2021-01-14 US disclosed
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2020-02-20 US disclosed
US-20190112281-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2019-04-18 US disclosed
US-20190112283-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2019-04-18 US disclosed
WO-2016126722-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-08-11 WO disclosed
WO-2016126725-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-08-11 WO disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 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 (11 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-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ADRA2A 4115/4885MAPT 2560/4885LMNA 727/4885
US-20190112283-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-20190112281-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ADRA2A 4115/4885MAPT 2560/4885LMNA 727/4885
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 ADRA2A 4008/4885MAPT 2816/4885LMNA 1023/4885
US-20160222028-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4115/4885MAPT 2560/4885LMNA 727/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 ADRA2A 4115/4885MAPT 2560/4885LMNA 727/4885

“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.