SCHEMBL16894869

SCHEMBL16894869

O=C(O)[C@@H]1CC2(CCN1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.38
ALOX15 P16050 4/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
LMNA P02545 2/20 0.32
BLM P54132 2/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
PMP22 Q01453 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 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
SCHEMBL15152229 1.00 CYP1A2 (0.38) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL27172650 1.00 CYP1A2 (0.38) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL8577271 0.81 CYP1A2 (0.48) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL26114376 0.81 CYP1A2 (0.48) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL7380804 0.81 CYP1A2 (0.48) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL9733517 0.80 MMP2 (0.35) KMT2A
SCHEMBL9734722 0.77 HPGD (0.43) CYP2C19LMNAMEN1KMT2ATSHR
SCHEMBL11212501 0.74 CYP1A2 (0.46) CYP1A2ALOX15GRM2GRM3CYP2D6
SCHEMBL9733467 0.72 NPC1 (0.33) CYP2C19ALDH1A1
SCHEMBL29651115 0.71 CYP1A2 (0.41) CYP1A2ALOX15GRM2GRM3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092238-B1 ARYL SULTAM DERIVATIVES AS RORC MODULATORS HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-06-16 US disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 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 (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-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA CYP1A2 97/4885ALOX15 3169/4885GRM2 364/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA CYP1A2 97/4885ALOX15 3169/4885GRM2 364/4885

“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.