SCHEMBL6495128

SCHEMBL6495128

Cc1ccccc1OC(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 0.47
NISCH Q9Y2I1 1/20 0.45
TSHR P16473 7/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
SLC6A2 P23975 3/20 0.42
HTR2A P28223 3/20 0.42
SLC6A4 P31645 3/20 0.42
HTR2B P41595 3/20 0.42
KCNH2 Q12809 3/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2B P18089 2/20 0.42
HTR2C P28335 2/20 0.42
HRH1 P35367 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
OPRK1 P41145 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KLF10 Q13118 2/20 0.42

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
SCHEMBL27684350 0.84 SCN4A (0.48) SCN4ANISCHTSHRCYP1A2CYP3A4
SCHEMBL1592873 0.81 NISCH (0.47) SCN4ANISCHTSHRCYP1A2CYP3A4
SCHEMBL31490450 0.81 IRAK4 (0.48) NISCHTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL104727 0.81 IRAK4 (0.48) NISCHTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL4071169 0.79 ALOX15 (0.44) SCN4ANISCHTSHRCYP1A2CYP3A4
SCHEMBL28883167 0.79 IRAK4 (0.47) NISCHTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL31121337 0.79 TSHR (0.43) SCN4ANISCHTSHRCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL5891986 0.79 IRAK4 (0.47) NISCHTSHRCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4624005 0.79 IRAK4 (0.47) NISCHTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL6693445 0.78 ALOX15 (0.46) SCN4ANISCHTSHRCYP1A2CYP3A4

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-20030055066-A1 Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain LIN, TONG-HO (TW) 2003-03-20 US claimed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 WO disclosed
US-6846826-B2 Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain Chen, Ing-Jun (TW) 2005-01-25 US disclosed
US-20030055066-A1 Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain LIN, TONG-HO (TW) 2003-03-20 US disclosed
EP-0040591-B1 PYRIDOXINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL USE S.A. SANOFI - LABAZ N.V. (BE) 1983-06-22 EP disclosed
US-4374841-A HYPOTENSIVE, ADRENERGIC BLOCKING, AND CARDIOTONIC AGENTS; CENTRAL DEPRESSANTS S. A. LABAZ N.V. (BE) 1983-02-22 US disclosed
US-4119729-A TREATMENT OF HYPERTENSION MEAD JOHNSON & COMPANY (US) 1978-10-10 US disclosed
US-4067904-A ANTIARRHYTHMIA, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1978-01-10 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 (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-20030055066-A1 Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain KCNH2, ADRB3, KCNH3 SCN4A 274/4885NISCH 1143/4885TSHR 1645/4885

“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.