SCHEMBL16204644

SCHEMBL16204644

CCCC(C)CCNCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOA P21397 1/20 0.50
CHRM2 P08172 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SIGMAR1 Q99720 5/20 0.46
DRD4 P21917 1/20 0.43
MITF O75030 1/20 0.42

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
SCHEMBL20347684 0.87 MEN1 (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL20468309 0.87 MEN1 (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL4610835 0.84 MEN1 (0.53) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL22052987 0.84 ALDH1A1 (0.47) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL20417941 0.84 ALDH1A1 (0.47) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL19739064 0.83 MEN1 (0.52) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5784665 0.81 MEN1 (0.64) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL10952739 0.79 MEN1 (0.52) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL141336 0.78 MEN1 (0.73) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL21504125 0.78 MEN1 (0.50) MEN1KMT2ATDP1MAOACHRM2

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
EP-2675787-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS INC (US) 2018-03-28 EP disclosed
EP-2170860-B9 BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2017-02-22 EP disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 US disclosed
US-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS NORTHWESTERN UNIVERSITY 2014-10-30 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 (2 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-20140323438-A1 COMPOUNDS AND METHODS FOR THE PREVENTION AND TREATMENT OF TUMOR METASTASIS AND TUMORIGENESIS PGF, BRCA1, RB1 MEN1 756/4885KMT2A 3471/4885TDP1 803/4885
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC MEN1 4193/4885KMT2A 1124/4885TDP1 4055/4885

“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.