SCHEMBL1989342

SCHEMBL1989342

Cc1ccc(CCc2cccc3c4c([nH]c23)CCNC4)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
RAD52 P43351 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP14 Q460N5 1/20 0.34
HRH1 P35367 2/20 0.33
HTR6 P50406 2/20 0.33
BCHE P06276 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 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
SCHEMBL1987166 0.81 ALDH1A1 (0.56) KDM4EALDH1A1SIRT2HRH1HTR6
SCHEMBL1987945 0.76 TAAR1 (0.47) TAAR1PARP1KDM4ESIRT2NISCH
SCHEMBL1987946 0.76 TAAR1 (0.47) TAAR1PARP1KDM4ESIRT2NISCH
SCHEMBL29293526 0.76 TAAR1 (0.61) TAAR1PARP1KDM4EALDH1A1SIRT2
SCHEMBL1991912 0.74 KDM4E (0.41) KDM4EALDH1A1PARP14HRH1HTR6
SCHEMBL1991064 0.72 KDM4E (0.39) KDM4EALDH1A1PARP14HRH1HTR6
SCHEMBL21154445 0.71 TAAR1 (0.66) TAAR1PARP1KDM4ESIRT2NISCH
SCHEMBL31020998 0.71 TAAR1 (0.66) TAAR1PARP1KDM4ESIRT2NISCH
Hydrochloric Acid SCHEMBL1841812 0.70 TAAR1 (0.68) TAAR1PARP1KDM4ESIRT2NISCH
SCHEMBL1986397 0.69 SIGMAR1 (0.49) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 US claimed
US-8809532-B2 Aza-ring fused indole and indoline derivatives ABBVIE INC. (US) 2014-08-19 US disclosed
US-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES ABBOTT LABORATORIES (US) 2011-06-23 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-20110152308-A1 AZA-RING FUSED INDOLE AND INDOLINE DERIVATIVES INMT, IDO1, IDO2 TAAR1 157/4885PARP1 782/4885KDM4E 326/4885

“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.