SCHEMBL4169374

SCHEMBL4169374

O=C1c2ccccc2CC1c1ncc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 11/20 0.55
ADRA1D P25100 6/20 0.50
ADRA1B P35368 3/20 0.50
ADRA2A P08913 2/20 0.50
ACHE P22303 2/20 0.44
CYP19A1 P11511 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
METAP1 P53582 3/20 0.38
NISCH Q9Y2I1 1/20 0.38

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
SCHEMBL30218164 0.78 ADRA1A (0.52) ADRA1AADRA1DADRA1BADRA2ANISCH
SCHEMBL4372649 0.74 ADRA1A (0.65) ADRA1AADRA1DADRA1BADRA2ACYP19A1
SCHEMBL1758237 0.73 MAPT (0.54) ACHECYP19A1KDM4EMEN1MAPT
SCHEMBL8058362 0.71 NOS3 (0.57) ADRA1AADRA1DADRA1BADRA2ANISCH
Hydrochloric Acid SCHEMBL8104231 0.70 NOS3 (0.56) ADRA1AADRA1DADRA1BADRA2ANISCH
SCHEMBL30785363 0.70 ACHE (0.55) ACHECYP19A1MAPTMETAP1
SCHEMBL2345374 0.70 ACHE (0.55) ACHECYP19A1MAPTMETAP1
SCHEMBL966691 0.69 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2A
SCHEMBL31484206 0.69 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2A
SCHEMBL10826589 0.68 ADRA1A (0.40) ADRA1AACHECYP19A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934241-B1 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL SCIENT IND RES (IN) 2012-11-14 EP claimed
US-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-05-28 US claimed
EP-1934241-A2 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-06-25 EP claimed
WO-2007031833-A2 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO claimed
US-8361996-B2 Imidazolyl substituted steroidal and indan-1-one derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-01-29 US disclosed
EP-1934241-B1 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL SCIENT IND RES (IN) 2012-11-14 EP disclosed
US-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-05-28 US disclosed
EP-1934241-A2 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-06-25 EP disclosed
WO-2007031833-A2 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 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-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives NR5A1, NR3C2, CYP17A1 ADRA1A 219/4885ADRA1D 207/4885ADRA1B 585/4885

“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.