SCHEMBL90167

SCHEMBL90167

COCCCOc1cc(C)ncc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.38
SLC6A2 P23975 12/20 0.38
SLC6A3 Q01959 9/20 0.38
UHRF1 Q96T88 1/20 0.35
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL89396 0.81 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3KMT2AKDM4E
SCHEMBL16455678 0.76 AAK1 (0.39) KDM4ETSHRLMNAHTTALDH1A1
SCHEMBL4128579 0.76 UHRF1 (0.43) SLC6A4SLC6A2SLC6A3UHRF1ALDH1A1
SCHEMBL25009568 0.74 MCHR1 (0.38) SLC6A4SLC6A2SLC6A3UHRF1KCNH2
SCHEMBL27857265 0.73 CYP17A1 (0.36) SLC6A2KMT2AKDM4EKCNH2LMNA
SCHEMBL19491483 0.73 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3UHRF1KMT2A
SCHEMBL89387 0.72 TSHR (0.62) KMT2AKDM4ETSHRLMNAHTT
Hydrochloric Acid SCHEMBL28832301 0.71 ALDH1A1 (0.37) SLC6A2KMT2AKDM4EKCNH2LMNA
SCHEMBL7868146 0.71 CRHR1 (0.39)
SCHEMBL13433964 0.71 L3MBTL1 (0.44) KMT2AEHMT2MEN1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (1 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 SLC6A4 895/4885SLC6A2 640/4885SLC6A3 428/4885

“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.