SCHEMBL5423040

SCHEMBL5423040

CC12C(=O)OC3CC1CCC32

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.33
▸ TP53 P04637 3/20 0.31
▸ CYP3A4 P08684 3/20 0.31
▸ MAPK1 P28482 3/20 0.31
▸ HIF1A Q16665 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ PPM1B O75688 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ PPP1CC P36873 1/20 0.31
▸ TFPI2 P48307 1/20 0.31
▸ PPP5C P53041 1/20 0.31
▸ PPP2CA P67775 1/20 0.31
▸ PPP1CA P62136 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL23008043 0.68 ABCB1 (0.41) MAPK1KDM4EMEN1MAPTTSHR
SCHEMBL14867116 0.68 MAPT (0.31) NPC1RAB9AMAPTKMT2A
SCHEMBL8630324 0.68 ABCB1 (0.41) MAPK1KDM4EMEN1MAPTTSHR
SCHEMBL24475291 0.68 MAPT (0.31) NPC1RAB9AMAPTKMT2A
SCHEMBL15856565 0.68 MAPT (0.34) NPC1RAB9AMAPTKMT2A
SCHEMBL23566047 0.68 MAPT (0.31) NPC1RAB9AMAPTKMT2A
SCHEMBL8630325 0.68 ABCB1 (0.41) MAPK1KDM4EMEN1MAPTTSHR
SCHEMBL24791473 0.67 — —
SCHEMBL21567768 0.67 — —
SCHEMBL5529323 0.67 NPC1 (0.31) NPC1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135445-A1 Bicyclic Indolyl Derivatives and Methods for Their Use as Serotonergic Agents WYETH (US) 2007-06-14 — — US disclosed
US-7179813-B2 Bicyclic indolyl derivatives and methods for their use as serotonergic agents WYETH (US) 2007-02-20 — — US disclosed
EP-1644355-A1 BICYCLIC INDOLYL DERIVATIVES AND METHODS OF THEIR USE AS SEROTONERGIC AGENTS Wyeth (US) 2006-04-12 — — EP disclosed
US-20050124630-A1 Bicyclic indolyl derivatives and methods for their use as serotonergic agents WYETH (US) 2005-06-09 — — US disclosed
WO-2004111035-A1 BICYCLIC INDOLYL DERIVATIVES AND METHODS OF THEIR USE AS SEROTONERGIC AGENTS WYETH (US) 2004-12-23 — — 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 (2 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-20070135445-A1 Bicyclic Indolyl Derivatives and Methods for Their Use as Serotonergic Agents HTR4, HTR3A, TPH1 CYP19A1 1631/4885TP53 3433/4885CYP3A4 685/4885
US-20050124630-A1 Bicyclic indolyl derivatives and methods for their use as serotonergic agents HTR4, HTR3A, TPH1 CYP19A1 1631/4885TP53 3433/4885CYP3A4 685/4885

“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.

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