SCHEMBL10805464

SCHEMBL10805464

CN(C)CC(O)COc1ccccc1CCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.74
▸ HTR2A P28223 2/20 0.74
▸ ABCB1 P08183 6/20 0.64
▸ HTR1A P08908 1/20 0.53
▸ DRD2 P14416 1/20 0.53

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
SCHEMBL30001633 1.00 CYP2D6 (0.74) CYP2D6HTR2AABCB1HTR1ADRD2
Hydrochloric Acid SCHEMBL10806395 0.99 CYP2D6 (0.72) CYP2D6HTR2AABCB1HTR1ADRD2
SCHEMBL8702732 0.92 CYP2D6 (0.64) CYP2D6HTR2AABCB1
SCHEMBL8706577 0.92 CYP2D6 (0.64) CYP2D6HTR2AABCB1
Hydrochloric Acid SCHEMBL8702986 0.91 CYP2D6 (0.63) CYP2D6HTR2AABCB1
SCHEMBL8709242 0.91 CYP2D6 (0.63) CYP2D6HTR2AABCB1
Hydrochloric Acid SCHEMBL8703891 0.91 CYP2D6 (0.63) CYP2D6HTR2AABCB1
SCHEMBL8708750 0.91 CYP2D6 (0.63) CYP2D6HTR2AABCB1
SCHEMBL8708818 0.91 CYP2D6 (0.63) CYP2D6HTR2AABCB1
Hydrochloric Acid SCHEMBL8704853 0.90 CYP2D6 (0.61) CYP2D6HTR2AABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF VEPACHEDU SREENIVASARAO (US) 2020-08-20 — — US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 — — EP disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 — — WO disclosed
EP-0072942-B1 PHARMACEUTICALLY ACTIVE (3-AMINOPROPOXY)-BIBENZYL DERIVATIVES MITSUBISHI KASEI CORPORATION (JP) 1987-03-04 — — EP disclosed
US-4599419-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, INC. (JP) 1986-07-08 — — US disclosed
US-4485258-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-11-27 — — US disclosed
EP-0072942-A2 Pharmaceutically active (3-aminopropoxy)-bibenzyl derivatives MITSUBISHI KASEI CORPORATION (JP) 1983-03-02 — — 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 (1 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-20200261442-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2C, HTR2A, HTR3A CYP2D6 17/4885HTR2A 2/4885ABCB1 59/4885

“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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