SCHEMBL25152243

SCHEMBL25152243

O=C(c1ccccc1)C1(C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.47
RIPK1 Q13546 1/20 0.44
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 1/20 0.39
CES2 O00748 2/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPA1 O75762 1/20 0.39
AKR1C1 Q04828 1/20 0.38
PDK2 Q15119 2/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL12490310 0.81 MAPT (0.46) CES1LMNARAB9ADGAT1CES2
SCHEMBL35211536 0.79 PARP1 (0.47) LMNANPC1RAB9AGAASMN1; SMN2
SCHEMBL27086709 0.77 CES1 (0.40) CES1RIPK1NPC1RAB9AHSD17B10
SCHEMBL3664914 0.74 CES1 (0.45) CES1LMNANPC1RAB9AHSD17B10
SCHEMBL18559 0.73 DGAT1 (0.52) DGAT1
SCHEMBL9065157 0.72 CES1 (0.44) CES1RIPK1LMNAHSD17B10SMN1; SMN2
SCHEMBL25152749 0.71 KDM4E (0.42) CES1NPC1RAB9AHSD17B10GAA
SCHEMBL24323292 0.71 HDAC3 (0.33) RIPK1DGAT1L3MBTL1
Hydrochloric Acid SCHEMBL23094114 0.71 DGAT1 (0.50) DGAT1
SCHEMBL6698945 0.70 CES1 (0.46) CES1LMNAHSD17B10SMN1; SMN2CES2

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
US-12168648-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2024-12-17 US disclosed
US-20240092746-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. 2024-03-21 US disclosed
EP-4320105-A1 OPIOID RECEPTOR MODULATORS Epiodyne, Inc. (US) 2024-02-14 EP disclosed
CN-117425644-A Opioid receptor modulators 埃皮欧黛公司 2024-01-19 CN disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-11634396-B2 Opioid receptor modulators EPIODYNE, INC. (US) 2023-04-25 US disclosed
US-20220356157-A1 OPIOID RECEPTOR MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 US disclosed
WO-2022216750-A1 OPIOID RECEPTOR MODULATORS EPIODYNE, INC. (US) 2022-10-13 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-20240092746-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 CES1 1771/4885RIPK1 1581/4885LMNA 4728/4885
US-12168648-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CES1 1771/4885RIPK1 1581/4885LMNA 4728/4885
US-11634396-B2 Opioid receptor modulators OPRM1, OPRK1, OPRL1 CES1 1771/4885RIPK1 1581/4885LMNA 4728/4885
US-20220356157-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRK1, OPRL1 CES1 1771/4885RIPK1 1581/4885LMNA 4728/4885

“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.