SCHEMBL4396480

SCHEMBL4396480

CC(C)(C)N(CC1CN(C(c2ccccc2)c2ccccc2)C1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SLC6A9 P48067 1/20 0.44
OPRD1 P41143 4/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CACNA2D1 P54289 3/20 0.41
CACNA1B Q00975 3/20 0.41
CACNB1 Q02641 3/20 0.41
CACNA1C Q13936 2/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CACNA1H O95180 1/20 0.39

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
SCHEMBL4388704 0.87 KMT2A (0.43) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL15626792 0.78 KMT2A (0.42) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL13215262 0.77 KMT2A (0.43) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL2915556 0.76 HTR2A (0.44) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL3317446 0.76 KMT2A (0.48) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL23762504 0.75 OPRM1 (0.46) KMT2AMEN1SLC6A9OPRD1OPRM1
SCHEMBL4438292 0.74 OPRD1 (0.41) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL72670 0.74 MEN1 (0.48) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL5779560 0.74 KMT2A (0.51) KMT2AMEN1SLC6A9OPRD1ALDH1A1
SCHEMBL14769296 0.73 SLC6A9 (0.52) KMT2ASLC6A9OPRD1ALDH1A1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA, S.A. (ES) 2009-12-10 US disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0106489-B1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1988-07-27 EP disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP 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-20090306038-A1 2-Aminopyrimidine derivatives as modulators of the histamine H4 receptor activity HRH4, HRH2, HRH3 KMT2A 345/4885MEN1 3414/4885SLC6A9 2919/4885

“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.