SCHEMBL7115349

SCHEMBL7115349

CC(C)CNCC(O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
ERAP2 Q6P179 1/20 0.48
TRPA1 O75762 2/20 0.46
TAAR1 Q96RJ0 5/20 0.46
SIGMAR1 Q99720 3/20 0.46
SLC18A2 Q05940 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A2 P23975 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL7864502 0.84 TAAR1 (0.48) TAAR1MAPTSLC6A2SLC6A4SLC6A3
SCHEMBL15443077 0.83 SIGMAR1 (0.48) TRPA1TAAR1SIGMAR1SLC18A2MEN1
SCHEMBL7909784 0.82 TRPA1 (0.61) ANPEPERAP2TRPA1TAAR1SIGMAR1
SCHEMBL7862790 0.82 SLC6A2 (0.47) MEN1KMT2AMAPTSLC6A2SLC6A4
SCHEMBL14015727 0.81 DNM1 (0.57) ANPEPMEN1KMT2AALDH1A1
SCHEMBL21568873 0.81 SIGMAR1 (0.48) ANPEPERAP2TAAR1SIGMAR1SLC18A2
SCHEMBL28369397 0.80 TAAR1 (0.41) ANPEPTAAR1MEN1KMT2A
SCHEMBL23636024 0.80 SIGMAR1 (0.51) ANPEPERAP2TRPA1SIGMAR1MEN1
SCHEMBL1286638 0.80 CSNK1E (0.51) ANPEPERAP2TRPA1TAAR1SIGMAR1
SCHEMBL1286637 0.80 CSNK1E (0.51) ANPEPERAP2TRPA1TAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
CN-1337955-A Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents AMERICAN BAYER CORP (US) 2002-02-27 CN disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO 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-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ANPEP 3340/4885ERAP2 1698/4885TRPA1 1055/4885

“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.