SCHEMBL18205232

SCHEMBL18205232

COc1ccc(CN2CC3CCC3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PTGIR P43119 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
DRD4 P21917 1/20 0.50
HRH2 P25021 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL3648634 0.85 CHRNB2 (0.47) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL3650270 0.85 CHRNB2 (0.47) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL28728795 0.84 SIGMAR1 (0.56) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
Hydrochloric Acid SCHEMBL4537169 0.84 SIGMAR1 (0.47) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL2918073 0.82 SIGMAR1 (0.57) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL2916777 0.82 DRD4 (0.57) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
SCHEMBL5399024 0.82 DRD2 (0.49) SIGMAR1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL5401152 0.81 CMA1 (0.53) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL2432513 0.81 SMN1; SMN2 (0.58) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2
Hydrochloric Acid SCHEMBL3112172 0.81 DRD4 (0.56) SIGMAR1SMN1; SMN2PTGIRDRD4HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-08-21 US disclosed
EP-3291810-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2018-03-14 EP disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 SIGMAR1 4205/4885SMN1; SMN2 3271/4885MEN1 3789/4885
US-10053434-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC5 SIGMAR1 4205/4885SMN1; SMN2 3271/4885MEN1 3789/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 SIGMAR1 4205/4885SMN1; SMN2 3271/4885MEN1 3789/4885

“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.