SCHEMBL9979998

SCHEMBL9979998

O=C(Nc1ccccc1C(F)(F)F)Nc1cccc(C(=O)N2CCN3CCCC3C2)c1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 2/20 0.48
CACNA1H O95180 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CXCR2 P25025 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL14329380 0.85 L3MBTL3 (0.47) SMN1; SMN2MGLLCACNA1HMEN1KMT2A
SCHEMBL9980080 0.85 L3MBTL3 (0.47) SMN1; SMN2MGLLCACNA1HMEN1KMT2A
SCHEMBL9980051 0.85 L3MBTL3 (0.47) SMN1; SMN2MGLLCACNA1HMEN1KMT2A
SCHEMBL9980054 0.83 CXCR2 (0.56) CACNA1HCXCR2
SCHEMBL9980078 0.83 CXCR2 (0.56) CACNA1HCXCR2
SCHEMBL9979996 0.83 CACNA1H (0.49) MGLLCACNA1HKDM4EALDH1A1CXCR2
SCHEMBL30515712 0.83 CACNA1H (0.49) MGLLCACNA1HKDM4EALDH1A1CXCR2
SCHEMBL20817497 0.74 CXCR2 (0.48) MGLLCACNA1HCXCR2
SCHEMBL9979958 0.74 L3MBTL3 (0.47) CYP2D6MGLLCACNA1HMEN1KMT2A
SCHEMBL9980040 0.74 L3MBTL3 (0.47) CYP2D6MGLLCACNA1HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 CYP1A2 298/4885CYP2D6 373/4885SMN1; SMN2 3342/4885

“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.