SCHEMBL7143723

SCHEMBL7143723

COc1cc(I)c(CCN)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.59
HTR2A P28223 6/20 0.59
HTR2C P28335 2/20 0.59
ADRA1A P35348 1/20 0.50
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ATM Q13315 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
SCHEMBL6988223 0.90 TAAR1 (0.53) TAAR1HTR2AHTR2CKDM4E
SCHEMBL29528198 0.86 HTR2A (0.68) TAAR1HTR2AHTR2CCYP1A2
SCHEMBL1067850 0.86 HTR2A (0.68) TAAR1HTR2AHTR2CCYP1A2
Hydrochloric Acid SCHEMBL29386152 0.85 HTR2A (0.66) TAAR1HTR2AHTR2CCYP1A2
Hydrochloric Acid SCHEMBL22614745 0.85 HTR2A (0.66) TAAR1HTR2AHTR2CCYP1A2
SCHEMBL1253319 0.81 TAAR1 (0.77) TAAR1HTR2AHTR2CADRA1A
SCHEMBL29364056 0.81 TAAR1 (0.77) TAAR1HTR2AHTR2CADRA1A
SCHEMBL21240834 0.81 TAAR1 (0.83) TAAR1HTR2AHTR2CADRA1A
SCHEMBL25143222 0.80 MTNR1A (0.45) TAAR1HTR2AHTR2CCYP1A2
SCHEMBL244435 0.80 HTR2A (0.76) TAAR1HTR2AHTR2CADRA1A

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
WO-2014066772-A1 PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS Ground Fluor Pharmaceuticals, Inc. (US) 2014-05-01 WO disclosed
US-20140121371-A1 PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS Ground Fluor Pharmaceuticals, Inc. (US) 2014-05-01 US disclosed
US-20140121371-A1 PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS Ground Fluor Pharmaceuticals, Inc. (US) 2014-05-01 US disclosed
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
EP-0789577-A4 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 1998-07-22 EP disclosed
EP-0789577-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1997-08-20 EP disclosed
WO-1996040202-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1996-12-19 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 (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-20140121371-A1 PROCESSES AND REAGENTS FOR MAKING DIARYLIODONIUM SALTS ABL1, ARSA, AADAC TAAR1 535/4885HTR2A 3860/4885HTR2C 2929/4885

“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.