SCHEMBL17643432

SCHEMBL17643432

C[C@H]1CC(=O)CCN1C(O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HTR2C P28335 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ PREP P48147 1/20 0.35

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
SCHEMBL18629024 0.82 MMP2 (0.43) CYP2C19CYP3A4CYP2C9ALDH1A1HPGD
SCHEMBL21276083 0.76 POLB (0.43) CYP2C19CYP3A4CYP2C9POLBNPC1
SCHEMBL31329634 0.75 HTR2C (0.54) HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL754805 0.75 HTR2C (0.54) HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL1170552 0.75 HTR2C (0.54) HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL3657493 0.73 CYP2C19 (0.46) CYP2C19CYP3A4CYP2C9HTR2CNPC1
SCHEMBL16445433 0.73 SIGMAR1 (0.47) POLB
SCHEMBL24346246 0.72 — —
SCHEMBL15105078 0.72 CYP2D6 (0.44) ALDH1A1HPGD
SCHEMBL428075 0.72 CYP2D6 (0.44) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2017-08-17 — — US disclosed
US-9670201-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2017-06-06 — — US disclosed
US-20160090381-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER (US) 2016-03-31 — — 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-20170233390-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA CYP2C19 609/4885CYP3A4 670/4885CYP2C9 1814/4885
US-20160090381-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA CYP2C19 609/4885CYP3A4 670/4885CYP2C9 1814/4885

“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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