SCHEMBL16762004

SCHEMBL16762004

CON(C)C(=O)[C@H]1CC[C@H](Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
EPHX2 P34913 5/20 0.43
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
BCL2A1 Q16548 4/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MLNR O43193 2/20 0.39
MAPT P10636 1/20 0.39
BID P55957 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
SCHEMBL16762006 1.00 HSD17B1 (0.43) HSD17B1HSD17B2EPHX2PKMRAB9A
SCHEMBL10207451 0.80 MGLL (0.50) PKMRAB9AMAPT
SCHEMBL10207453 0.80 HSD17B1 (0.59) HSD17B1HSD17B2PKMRAB9ASLC6A3
SCHEMBL16309650 0.80 MGLL (0.50) PKMRAB9AMAPT
SCHEMBL20683528 0.76 PKM (0.40) HSD17B1HSD17B2PKMRAB9ABCL2A1
SCHEMBL12292711 0.76 HSD17B1 (0.41) HSD17B1HSD17B2PKMRAB9A
SCHEMBL918622 0.75 NOTUM (0.54) PKMRAB9AMAPT
SCHEMBL27028609 0.74 SLC6A4 (0.62) EPHX2RAB9AFAAHSLC6A4SLC6A2
SCHEMBL428708 0.74
SCHEMBL31623264 0.74 HSD11B1 (0.33) HSD17B1HSD17B2

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
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 HSD17B1 982/4885HSD17B2 531/4885EPHX2 1144/4885

“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.