SCHEMBL2991719

SCHEMBL2991719

O=C(O)N1CCc2cc(F)c(Br)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ABHD6 Q9BV23 2/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29144297 0.86 NOTUM (0.51) HCRTR1HCRTR2ABHD6ESR1ESR2
SCHEMBL19643004 0.84 ESR1 (0.58) HCRTR1HCRTR2ABHD6ESR1ESR2
SCHEMBL23327090 0.83 CA1 (0.45) ESR1ESR2CA1CA2CA7
SCHEMBL19951726 0.82 HCRTR1 (0.45) HCRTR1HCRTR2ABHD6ESR1ESR2
SCHEMBL29144304 0.82 HPGDS (0.44) HCRTR1HCRTR2MAPTNPC1RAB9A
SCHEMBL28682598 0.81 CA1 (0.41) ABHD6ESR1ESR2CA1CA2
SCHEMBL28533143 0.81 ESR1 (0.38) ESR1ESR2CA1CA2CA7
SCHEMBL28535324 0.81 ESR1 (0.38) ESR1ESR2CA1CA2CA7
SCHEMBL19951725 0.81 KMT2A (0.37) HCRTR1HCRTR2ABHD6ESR1ESR2
SCHEMBL22466075 0.80 MAP3K5 (0.45) HCRTR1HCRTR2ABHD6KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017850-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114258392-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-03-29 CN disclosed
WO-2021032935-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032938-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-12-20 US disclosed
WO-2018218051-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-11-29 WO disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 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 (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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HCRTR1 47/4885HCRTR2 55/4885ABHD6 4091/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HCRTR1 47/4885HCRTR2 55/4885ABHD6 4091/4885
US-20180362503-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, AIFM1, BCL2 HCRTR1 2653/4885HCRTR2 2894/4885ABHD6 1373/4885
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 HCRTR1 2653/4885HCRTR2 2894/4885ABHD6 1373/4885

“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.