SCHEMBL12405643

SCHEMBL12405643

O=C(CCC1c2ccccc2-c2ccccc21)N1CCN(Cc2c[nH]cn2)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13212686 0.84 KMT2A (0.36) BRD4KMT2A
SCHEMBL12404796 0.78 BRD4 (0.60) BRD4ALDH1A1
SCHEMBL3501053 0.77 TSHR (0.45) TSHRALDH1A1MAPK1MEN1MAPT
SCHEMBL12404787 0.75 HDAC1 (0.47) BRD4
SCHEMBL12404781 0.70 BRD4 (0.35) BRD4ALDH1A1MEN1KMT2A
SCHEMBL12405196 0.68 BRD4 (0.38) BRD4KMT2A
SCHEMBL12359549 0.68 EPHX2 (0.47) TSHRMEN1KMT2A
SCHEMBL12405193 0.66 CYP3A4 (0.37) BRD4TSHRALDH1A1MAPT
SCHEMBL30379345 0.65 SIRT1 (0.43) BRD4TSHRALDH1A1MAPK1MEN1
SCHEMBL26091208 0.65 SIRT1 (0.43) BRD4TSHRALDH1A1MAPK1MEN1

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-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 US disclosed
US-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-08 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-20100173823-A1 ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A BRD4 1579/4885TSHR 245/4885ALDH1A1 915/4885

“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.