SCHEMBL2265088

SCHEMBL2265088

O=C(OCc1ccccc1)N1CCC(O)(c2cccnc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.63
OPRK1 P41145 2/20 0.57
PKM P14618 1/20 0.56
CYP3A4 P08684 3/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C9 P11712 3/20 0.55
GRIN2B Q13224 2/20 0.55
OPRD1 P41143 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NOS2 P35228 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM4 P08173 1/20 0.50

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
SCHEMBL7556949 0.88 CHRM4 (0.61) MEN1KMT2AOPRK1GRIN2BOPRD1
SCHEMBL7527756 0.85 ALDH1A1 (0.62) MEN1KMT2AALDH1A1LMNAOPRK1
SCHEMBL2265944 0.81 TACR1 (0.47) MEN1KMT2AOPRK1OPRD1HDAC3
SCHEMBL10566099 0.80 MEN1 (0.53) MEN1KMT2AOPRK1OPRD1HDAC3
SCHEMBL2264503 0.80 HDAC3 (0.48) MEN1KMT2AOPRK1CYP3A4CYP2D6
SCHEMBL3441676 0.80 ALDH1A1 (0.75) MEN1KMT2AALDH1A1LMNAOPRK1
SCHEMBL16936275 0.80 CCR1 (0.64) MEN1KMT2AALDH1A1OPRK1OPRD1
SCHEMBL15379133 0.80 NOS2 (0.54) MEN1KMT2AALDH1A1OPRK1OPRD1
SCHEMBL8696969 0.80 RORC (0.58) MEN1KMT2AOPRK1OPRD1HDAC3
SCHEMBL19458995 0.80 ACE2 (0.56) MEN1KMT2AOPRK1OPRD1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-5681840-A ANTIDOPAMINERGIC AGENTS ZENECA LIMITED (GB) 1997-10-28 US disclosed
EP-0533344-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5512575-A ANTISEROTONINE AGENT ZENECA LIMITED (GB) 1996-04-30 US disclosed
EP-0533344-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-24 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 MEN1 1150/4885KMT2A 3283/4885ALDH1A1 806/4885

“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.