SCHEMBL15499261

SCHEMBL15499261

CC1(CN2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.44
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.34
GLA P06280 1/20 0.33
CYP2A13 Q16696 1/20 0.33

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
SCHEMBL24837668 0.92 GAA (0.41) HTTKDM4ETSHRGAALMNA
SCHEMBL18159150 0.91 HTT (0.42) HTTKDM4ETSHRGAALMNA
SCHEMBL20147315 0.82 HTT (0.37) HTTKDM4ETSHRGAALMNA
SCHEMBL23369660 0.79 HTT (0.44) HTTKDM4ETSHRGAALMNA
SCHEMBL12717161 0.77 TSHR (0.36) TSHRLMNASLC6A2SLC6A4SLC6A3
SCHEMBL26754913 0.77
SCHEMBL26065167 0.77 HTT (0.36) HTTKDM4ETSHRGAALMNA
SCHEMBL26754939 0.76 KCNH2 (0.36)
SCHEMBL26750780 0.76 EPHX1 (0.33)
SCHEMBL26750986 0.76 KDM4E (0.32) KDM4E

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
WO-2023225302-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2023-11-23 WO disclosed
WO-2023220421-A1 INHIBITORS OF KRAS(G12D) RANOK THERAPEUTICS (HANGZHOU) CO. LTD. (CN) 2023-11-16 WO disclosed
WO-2023020523-A1 BICYCLIC DERIVATIVES AND USE THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO disclosed
WO-2022250170-A9 SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-01-05 WO disclosed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 US disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9562036-B2 Fluoromethyl-substituted pyrrole carboxamides as CaV2.2 calcium channel blockers Grünenthal GmbH (DE) 2017-02-07 US disclosed
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV GRUENENTHAL GMBH (DE) 2016-10-13 US disclosed
US-20160289214-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS Grünenthal GmbH (DE) 2016-10-06 US disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 US disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 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 (3 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-20160289214-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS CACNA1B, CACNG2, CACNA1G HTT 1182/4885KDM4E 1063/4885TSHR 4093/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G HTT 906/4885KDM4E 808/4885TSHR 3479/4885
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV TRPV1, CACNA1B, CACNA1I HTT 1292/4885KDM4E 367/4885TSHR 3757/4885

“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.