SCHEMBL9965409

SCHEMBL9965409

O=C(c1ccccc1)N1CCC(Nc2ccccc2Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MGLL Q99685 3/20 0.52
CNR1 P21554 3/20 0.51
CNR2 P34972 2/20 0.51
KCNA5 P22460 1/20 0.50
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
NOS2 P35228 2/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CCR8 P51685 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL643978 0.86 MAPT (0.48) KMT2AALDH1A1LMNANPSR1MAPT
SCHEMBL641134 0.86 CNR1 (0.49) MEN1KMT2AMGLLCNR1CNR2
SCHEMBL641275 0.85 ACHE (0.69) MEN1KMT2AMGLLALDH1A1ACHE
SCHEMBL9965420 0.84 GPR183 (0.57) MEN1KMT2AALDH1A1LMNA
SCHEMBL9965414 0.83 KMT2A (0.49) MEN1KMT2ACNR1CNR2NPSR1
SCHEMBL9965411 0.83 LMNA (0.46) KMT2ALMNANPSR1KCNH2MAPT
SCHEMBL9965423 0.83 ALDH1A1 (0.41) MEN1KMT2ACNR1ALDH1A1LMNA
SCHEMBL10173975 0.83 MAPT (0.45) KMT2AALDH1A1MAPT
SCHEMBL9965400 0.83 KMT2A (0.51) MEN1KMT2ACNR1CNR2NPSR1
SCHEMBL5149687 0.83 MAPT (0.45) KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 MEN1 3253/4885KMT2A 1997/4885MGLL 2766/4885

“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.