SCHEMBL22773225

SCHEMBL22773225

CCC(=Cc1ccc(OCCN(C)C)cc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.54
▸ PTGS1 P23219 2/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ ESR1 P03372 6/20 0.48
▸ ESR2 Q92731 6/20 0.48
▸ MAPT P10636 3/20 0.48
▸ ESRRG P62508 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ PGR P06401 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ ABCB11 O95342 1/20 0.48

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
SCHEMBL19643665 1.00 CYP2D6 (0.54) CYP2D6PTGS1HRH3CYP3A4CYP1A2
SCHEMBL19644220 0.90 CYP2D6 (0.46) CYP2D6PTGS1HRH3CYP3A4CYP1A2
SCHEMBL19660027 0.87 CYP2D6 (0.54) CYP2D6PTGS1HRH3CYP3A4CYP1A2
SCHEMBL22773276 0.87 CYP2D6 (0.54) CYP2D6PTGS1HRH3CYP3A4CYP1A2
SCHEMBL22773322 0.87 CYP2D6 (0.67) CYP2D6PTGS1CYP3A4CYP1A2ESR1
SCHEMBL22773292 0.87 CYP2D6 (0.71) CYP2D6PTGS1CYP3A4CYP1A2ESR1
SCHEMBL8835232 0.87 CYP2D6 (0.67) CYP2D6PTGS1CYP3A4CYP1A2ESR1
SCHEMBL8835237 0.87 CYP2D6 (0.67) CYP2D6PTGS1CYP3A4CYP1A2ESR1
SCHEMBL19659695 0.87 CYP2D6 (0.71) CYP2D6PTGS1CYP3A4CYP1A2ESR1
SCHEMBL22773385 0.85 PTGS1 (0.57) PTGS1ESR1ESR2NPC1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246904-A1 FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE UNIV TEMPLE (US) 2024-07-25 — — US disclosed
US-11873267-B2 Functionalized N,N-dialkylamino phenyl ethers and their method of use TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2024-01-16 — — US disclosed
US-20200392073-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-12-17 — — 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-11873267-B2 Functionalized N,N-dialkylamino phenyl ethers and their method of use GAA, GBA1, GBA2 CYP2D6 1611/4885PTGS1 4360/4885HRH3 4189/4885
US-20240246904-A1 FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 CYP2D6 1611/4885PTGS1 4360/4885HRH3 4189/4885
US-20200392073-A1 NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE GAA, GBA1, GBA2 CYP2D6 2010/4885PTGS1 4521/4885HRH3 3801/4885

“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.

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