SCHEMBL25826613

SCHEMBL25826613

CC(C)(C)CCCOCCNc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
FFAR1 O14842 2/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
CASR P41180 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2B P18089 1/20 0.32
OPRD1 P41143 1/20 0.32
SCN5A Q14524 1/20 0.32
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
KCNH3 Q9ULD8 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL25827946 0.79 HRH3 (0.43) ESR1HRH3CASRTHRATHRB
SCHEMBL25826615 0.79 SMN1; SMN2 (0.38) FFAR1MAPTABCB11CYP3A4ADRA2B
SCHEMBL25826612 0.78 FFAR1 (0.37) ESR1FFAR1THRATHRB
SCHEMBL24038030 0.73 ESR1 (0.47) ESR1MAPTGAATHRATHRB
SCHEMBL14670707 0.69 ESR1 (0.50) ESR1MAPTGAAADRA2BTHRA
SCHEMBL25827939 0.69 ESR1 (0.40) ESR1HRH3MAPTTHRATHRB
SCHEMBL11792842 0.68 CYP3A4 (0.43) HRH3MAPTGAAABCB11CYP3A4
SCHEMBL7182245 0.67 HRH3 (0.47) HRH3
SCHEMBL20325268 0.67 HRH3 (0.39) HRH3
SCHEMBL28984108 0.67 HRH3 (0.44) HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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 (2 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS ESR1 1503/4885HRH3 2453/4885FFAR1 3820/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS ESR1 1503/4885HRH3 2453/4885FFAR1 3820/4885

“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.