SCHEMBL17543711

SCHEMBL17543711

Clc1ccc(N2CCC3(CC2)CO3)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
AKR1C3 P42330 1/20 0.47
HTR1A P08908 1/20 0.42
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 2/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL17543646 0.88 SMN1; SMN2 (0.49) SMN1; SMN2HTR1ANOTUMALDH1A1MEN1
SCHEMBL17542884 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL17542882 0.85 SMN1; SMN2 (0.43) SMN1; SMN2AKR1C3ALDH1A1MAPTKDM4E
SCHEMBL30116237 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ELMNAHTT
SCHEMBL17542945 0.85 AKR1C3 (0.50) SMN1; SMN2AKR1C3ALDH1A1MAPTKDM4E
SCHEMBL17542688 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAHTT
SCHEMBL17543206 0.83 BCHE (0.42) SMN1; SMN2HTR1AALDH1A1MAPTKDM4E
SCHEMBL17543305 0.82 PHGDH (0.44) SMN1; SMN2NOTUMMAPT
SCHEMBL17543212 0.80 CHRM1 (0.42) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL17543628 0.80 HTR1A (0.39) SMN1; SMN2HTR1AALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885AKR1C3 4022/4885HTR1A 4686/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885AKR1C3 4022/4885HTR1A 4686/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885AKR1C3 4022/4885HTR1A 4686/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885AKR1C3 4022/4885HTR1A 4686/4885

“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.