SCHEMBL4651981

SCHEMBL4651981

NC1(CO)CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.43
KDM4E B2RXH2 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 1/20 0.39
NMBR P28336 1/20 0.38
KIF11 P52732 2/20 0.38
S1PR1 P21453 1/20 0.37
HTR1D P28221 3/20 0.37
HTR1B P28222 3/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL4653210 0.83 CFTR (0.41) CFTRKMT2ANMBRKIF11TRPV1
SCHEMBL4652170 0.81 BAZ2B (0.44) GAA
SCHEMBL4651124 0.76 HTR2A (0.45) KDM4ELMNA
SCHEMBL4652083 0.76 HTR2A (0.45) KDM4ELMNA
SCHEMBL4651181 0.75 BAZ2B (0.51) KMT2ALMNATHRB
SCHEMBL1873014 0.74 MAPT (0.51) CFTRKDM4ECRHBPCRHR2KMT2A
SCHEMBL4650789 0.72 AR (0.45) PTGS2CYP2C9PTGS1
SCHEMBL2969674 0.72 RAD52 (0.66) CFTRKDM4ECRHBPCRHR2KMT2A
SCHEMBL4902694 0.70 HTR1B (0.51) CFTRKDM4ECRHBPCRHR2KMT2A
SCHEMBL4905179 0.70 SIRT1 (0.54) CFTRKDM4ECRHBPCRHR2KMT2A

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
US-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AG (DE) 2008-11-06 US claimed
WO-2008116671-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-02 WO claimed
EP-1975159-A1 2,3,4,9-Tetrahydro-1H-carbazoles Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-01 EP claimed
US-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AG (DE) 2008-11-06 US disclosed
WO-2008116671-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-02 WO disclosed
EP-1975159-A1 2,3,4,9-Tetrahydro-1H-carbazoles Bayer Schering Pharma Aktiengesellschaft (DE) 2008-10-01 EP 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-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES FSHR, GNRHR, CYP19A1 CFTR 1215/4885KDM4E 2367/4885CRHBP 2994/4885

“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.