SCHEMBL4668323

SCHEMBL4668323

Cc1nccn1-c1ccc(I)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP19A1 P11511 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP2E1 P05181 1/20 0.55
CYP2A6 P11509 1/20 0.55
ADH5 P11766 2/20 0.50
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46

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
SCHEMBL30558759 0.89 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL30305324 0.83 ADH5 (0.66) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL8268417 0.83 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL2048531 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL1073638 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL10901719 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL265184 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL9451418 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL2336960 0.79 CYP3A4 (0.69) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL10900022 0.78 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2D6CYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020233512-A1 AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE 成都海创药业有限公司 (CN) 2020-11-26 WO disclosed
WO-2017155991-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-09-14 WO disclosed
EP-1802307-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LTD (GB) 2008-02-27 EP disclosed
US-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
EP-1802307-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2007-07-04 EP disclosed
WO-2006040192-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE RECEPTORS LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-20 WO disclosed
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
EP-0863905-B1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 2000-11-29 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
US-6037355-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS; CARDIOVASCULAR DISORDERS PFIZER INC (US) 2000-03-14 US disclosed
US-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed
EP-0863905-A1 NOVEL IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1998-09-16 EP disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1997011079-A1 NOVEL IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-27 WO disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 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-20080045506-A1 Pyrrolidine Derivatives as Histamine Receptors Ligands HRH4, HRH3, HRH2 ALDH1A1 1039/4885CYP3A4 1860/4885CYP2D6 1105/4885

“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.