SCHEMBL3840366

SCHEMBL3840366

O=C(Cl)C1Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
PIN1 Q13526 2/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL29559032 0.81 ALDH1A1 (0.53) P2RX7PIN1HDAC4HDAC7HDAC5
SCHEMBL2083786 0.81 ALDH1A1 (0.53) P2RX7PIN1HDAC4HDAC7HDAC5
SCHEMBL7213715 0.80 PIN1 (0.58) PIN1TSHR
SCHEMBL30070890 0.80 PIN1 (0.58) PIN1TSHR
SCHEMBL28599443 0.80 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL13979540 0.79 P2RX7 (0.45) P2RX7PIN1HDAC4HDAC7HDAC5
SCHEMBL31300387 0.79 P2RX7 (0.45) P2RX7PIN1HDAC4HDAC7HDAC5
SCHEMBL3649959 0.79 P2RX7 (0.45) P2RX7PIN1HDAC4HDAC7HDAC5
SCHEMBL2994523 0.77 ALDH1A1 (0.51) PIN1MEN1TSHRKMT2A
SCHEMBL31391124 0.77 ALDH1A1 (0.51) PIN1MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630921-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-04-25 US disclosed
US-20160318865-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
US-9422284-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2016-08-23 US disclosed
US-20160002229-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US disclosed
US-9150512-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2015-10-06 US disclosed
US-20140179732-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-06-26 US disclosed
US-8563591-B2 Tricyclic lactam derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-10-22 US disclosed
EP-1786774-B1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-10-14 EP disclosed
US-20080214597-A1 2-Adamantan-2-yl-2,3,3a,4,9,9a-hexahydro-benzo[f]isoindol-1-one; obesity, diabetes, obesity related cardiovascular diseases, dementia, cognition, osteoporosis, stress and glaucoma JANSSEN PHARMACEUTICAL N.V. (BE) 2008-09-04 US disclosed
EP-1786774-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-23 EP disclosed
WO-2006024628-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-09 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 (4 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-20160002229-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 P2RX7 4857/4885PIN1 1495/4885HDAC4 2154/4885
US-20080214597-A1 2-Adamantan-2-yl-2,3,3a,4,9,9a-hexahydro-benzo[f]isoindol-1-one; obesity, diabetes, obesity related cardiovascular diseases, dementia, cognition, osteoporosis, stress and glaucoma CHRM1, CHRNA7, CHRM5 P2RX7 1184/4885PIN1 2767/4885HDAC4 2579/4885
US-20160318865-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 P2RX7 4857/4885PIN1 1495/4885HDAC4 2154/4885
US-20140179732-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 P2RX7 4857/4885PIN1 1495/4885HDAC4 2154/4885

“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.