SCHEMBL4780666

SCHEMBL4780666

NC(CCCCN1C(=O)C2CCCN2C1=O)Cc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
RAD52 P43351 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4778937 0.83 HTR1A (0.58) HTR1ASMN1; SMN2ALDH1A1
SCHEMBL4779156 0.82 HTR1A (0.51) HTR1ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4725380 0.77 HTR1A (0.57) HTR1ASMN1; SMN2
SCHEMBL4725646 0.77 HTR1A (0.63) HTR1ASMN1; SMN2MEN1KMT2A
SCHEMBL5745668 0.74 HTR1A (0.63) HTR1ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL4726821 0.74 HTR1A (0.55) HTR1ASMN1; SMN2
SCHEMBL4727354 0.73 PIM1 (0.41) HTR1AALDH1A1KDM4EMAPTMEN1
SCHEMBL4252076 0.73 HTR1A (0.72) HTR1ASMN1; SMN2
SCHEMBL4252077 0.73 HTR1A (0.72) HTR1ASMN1; SMN2
SCHEMBL4239583 0.67 SMN1; SMN2 (0.66) HTR1ASMN1; SMN2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US claimed
US-7351732-B2 Cycloalkanedione derivatives, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2008-04-01 US disclosed
WO-2008015538-A2 USE OF DIAZA- AND THIAZA-CYCLOALKANEDIONES FOR PREVENTING AND/OR TREATING PAIN AND /OR MIGRAINE SCHWARZ PHARMA S.L. (ES) 2008-02-07 WO disclosed
US-20050250777-A1 Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications SCHWARZ PHARMA S.L. (DE) 2005-11-10 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-20050250777-A1 Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications HTR3A, HTR1A, HTR5A HTR1A 2/4885SMN1; SMN2 3292/4885ALDH1A1 680/4885

“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.