SCHEMBL20133796

SCHEMBL20133796

C[C@@H]1CCCC(c2ccccc2I)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.35
HTR2C P28335 4/20 0.33
PTGS2 P35354 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL4050008 0.82 PTGDR2 (0.40) HTR2CPTGS2NOS1HTR1DHTR1B
SCHEMBL30028865 0.82 HTR2C (0.39) HTR2CPDPK1
SCHEMBL3453584 0.82 HTR2C (0.39) HTR2CPDPK1
Formaldehyde SCHEMBL28173686 0.81 PTGDR2 (0.37) HTR2CPTGS2NOS3NOS1NOS2
SCHEMBL4087954 0.81 PTGDR2 (0.42) HTR2CPTGS2NOS1HTR1DHTR1B
SCHEMBL2913620 0.73 CHRNB4 (0.44) HTR2CPTGS2NOS3NOS1NOS2
SCHEMBL19207133 0.73 ESR2 (0.53) ESR2
SCHEMBL16191375 0.71 HTR2C (0.62) ESR2HTR2C
SCHEMBL27839709 0.70 MAPT (0.43)
SCHEMBL16233612 0.69 TP53 (0.48) ESR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 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-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ESR2 3134/4885HTR2C 1236/4885PTGS2 2995/4885

“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.