SCHEMBL12439722

SCHEMBL12439722

CN1CC(F)(F)C[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
IL1B P01584 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL26694617 1.00 APLNR (0.39) APLNRIL1BP2RX7
SCHEMBL17818963 1.00 APLNR (0.39) APLNRIL1BP2RX7
SCHEMBL25021195 0.81 APLNR (0.33) APLNR
SCHEMBL24272893 0.81 APLNR (0.33) APLNR
SCHEMBL17835260 0.80 DPP4 (0.30)
SCHEMBL23559818 0.80 DPP4 (0.30)
SCHEMBL15586309 0.80 DPP4 (0.30)
SCHEMBL16489098 0.79 APLNR (0.37) APLNR
SCHEMBL21563123 0.79 APLNR (0.37) APLNR
SCHEMBL17933276 0.79 APLNR (0.32) APLNR

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 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137699-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2026-05-21 US disclosed
EP-4735451-A1 SUBSTITUTED CONDENSED TRICYCLIC AMINE COMPOUNDS AND USES THEREOF AS RAS INHIBITORS Kumquat Biosciences Inc. (US) 2026-05-06 EP disclosed
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 WO disclosed
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-04-23 US disclosed
EP-3806853-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES ONCO3R THERAPEUTICS BV (BE) 2026-03-18 EP disclosed
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 US disclosed
EP-4605400-A1 NOVEL TRIHETEROCYCLIC COMPOUNDS Idience Co., Ltd. (KR) 2025-08-27 EP disclosed
EP-4592295-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2025-07-30 EP disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
EP-4570805-A1 TRICYCLIC COMPOUNDS AND MEDICAL USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-06-18 EP disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404708-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2011-07-21 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-7939533-B2 Dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-05-10 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN TORSTEN 2009-05-28 US disclosed
EP-1643998-B1 DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA HOFFMANN LA ROCHE (CH) 2007-08-29 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 (7 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 APLNR 1063/4885IL1B 668/4885P2RX7 2/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L APLNR 1097/4885IL1B 4803/4885P2RX7 3538/4885
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS APLNR 4347/4885IL1B 3804/4885P2RX7 2547/4885
US-20110178055-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 APLNR 259/4885IL1B 1421/4885P2RX7 493/4885
US-20260137699-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF SCN1B, OXER1, NR3C2 APLNR 3862/4885IL1B 3614/4885P2RX7 2092/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS APLNR 4013/4885IL1B 3758/4885P2RX7 4653/4885
US-20090137806-A1 DUAL NK1/NK3 RECEPTOR ANTAGONISTS TACR2, TAC3, TACR1 APLNR 259/4885IL1B 1421/4885P2RX7 493/4885

“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.