SCHEMBL17555366

SCHEMBL17555366

c1cc2ccc(C3CC3)nc2cc1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 5/20 0.50
HTR3B O95264 5/20 0.50
HTR3A P46098 5/20 0.50
HTR3D Q70Z44 5/20 0.50
HTR3C Q8WXA8 5/20 0.50
SIGMAR1 Q99720 3/20 0.50
HTR5A P47898 1/20 0.50
TERT O14746 2/20 0.45
ADRB1 P08588 7/20 0.44
HTR1A P08908 3/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ABL1 P00519 1/20 0.43
HRH4 Q9H3N8 3/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR7 P34969 2/20 0.41

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
SCHEMBL17555349 0.82 MAPT (0.49) TERTHTTKDM4EALDH1A1MAPK1
SCHEMBL28725665 0.73 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2418027 0.73 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9837631 0.72 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL15535527 0.72 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL19411398 0.71 BACE1 (0.43) SIGMAR1HRH4CYP1A2SLC6A4HTT
SCHEMBL7955026 0.71 MEN1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5226344 0.69 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25367791 0.69 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4252026 0.69 ADRB1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C

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-9421212-B2 Selective HDAC1 and HDAC2 inhibitors ACETYLON PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-20160067259-A1 SELECTIVE HDAC1 AND HDAC2 INHIBITORS ACETYLON PHARMACEUTICALS, INC. (US) 2016-03-10 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 (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-20160067259-A1 SELECTIVE HDAC1 AND HDAC2 INHIBITORS HDAC1, HDAC2, HDAC11 HTR3E 3171/4885HTR3B 2623/4885HTR3A 3215/4885

“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.