SCHEMBL10039628

SCHEMBL10039628

O=C(Cc1ccccc1)N1CCC[C@H]1c1ncc(-c2ccc(Oc3ccc(-c4cnc([C@@H]5CCCN5C(=O)Cc5ccccc5)[nH]4)cc3)cc2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.62
KCNH2 Q12809 2/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
NR1I2 O75469 1/20 0.50
ABCB11 O95342 1/20 0.50
OPRK1 P41145 1/20 0.50
CYP1A2 P05177 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49

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
SCHEMBL1747409 0.94 PRCP (0.69) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13748645 0.90 PRCP (0.68) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL12565050 0.88 PRCP (0.63) PRCPKCNH2CYP3A4CYP2C9CYP1A2
SCHEMBL563468 0.88 PRCP (0.54) PRCPKCNH2HCRTR1HCRTR2
SCHEMBL563467 0.88 PRCP (0.54) PRCPKCNH2HCRTR1HCRTR2
SCHEMBL13747759 0.87 PRCP (0.69) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL12160080 0.86 PRCP (0.60) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13747964 0.86 PRCP (0.61) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13747250 0.86 PRCP (0.60) PRCPKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL13748256 0.85 PRCP (0.59) PRCPKCNH2CYP3A4CYP2C9NR1I2

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-8436036-B2 Diaryl ethers JANSSEN R&D IRELAND (IE) 2013-05-07 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 US disclosed
US-20120034678-A1 Diaryl Ethers JANSSEN SCIENCES IRELAND UC (IE) 2012-02-09 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-20120034678-A1 Diaryl Ethers SLC10A1, CYP2F1, UGT1A1 PRCP 1514/4885KCNH2 3689/4885CYP3A4 58/4885

“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.