SCHEMBL17549656

SCHEMBL17549656

O=C(CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.70
SLC6A3 Q01959 3/20 0.70
HTR1A P08908 1/20 0.67
KMT2A Q03164 4/20 0.58
MEN1 O00255 1/20 0.58
ATM Q13315 1/20 0.58
ACHE P22303 3/20 0.58
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
HTR2A P28223 1/20 0.55
HTR7 P34969 1/20 0.55
DRD3 P35462 1/20 0.55
CACNA2D1 P54289 1/20 0.55
CACNA1B Q00975 1/20 0.55
CACNB1 Q02641 1/20 0.55
CACNA1C Q13936 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
GFER P55789 1/20 0.55

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
SCHEMBL17549682 0.94 SLC6A4 (0.64) SLC6A4SLC6A3HTR1AKMT2AMEN1
SCHEMBL17549667 0.91 SLC6A4 (0.67) SLC6A4SLC6A3HTR1AKMT2AATM
SCHEMBL28066404 0.88 TSHR (0.63) HTR1AKMT2AMEN1ATMLMNA
SCHEMBL7993207 0.86 HTR1A (0.65) SLC6A4SLC6A3HTR1ALMNADRD2
SCHEMBL7721328 0.82 SLC6A4 (1.00) SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL11077830 0.81 SLC6A4 (0.98) SLC6A4SLC6A3HTR1AKMT2AMEN1
SCHEMBL16026463 0.80 KMT2A (0.83) SLC6A4SLC6A3HTR1AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL7934846 0.79 KMT2A (0.83) SLC6A4SLC6A3HTR1AKMT2ALMNA
SCHEMBL14578163 0.78 HTR1A (0.66) SLC6A4SLC6A3HTR1AKMT2AMEN1
SCHEMBL17549665 0.78 KMT2A (0.65) SLC6A4SLC6A3HTR1AKMT2AALDH1A1

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-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 US disclosed
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 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-20160060235-A1 Therapeutic Agent for Type 2 Diabetes RNASE1, CDKL2, CDKL1 SLC6A4 4717/4885SLC6A3 3762/4885HTR1A 4839/4885

“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.