SCHEMBL17495481

SCHEMBL17495481

Cn1cc(C2CCCN(C(=O)OC(C)(C)C)C2)c2cc(N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.59
NR1H2 P55055 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
ALOX5AP P20292 2/20 0.42
FEN1 P39748 2/20 0.42
USP30 Q70CQ3 2/20 0.40
HPGDS O60760 1/20 0.40
BACE1 P56817 2/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 1/20 0.39
CTSD P07339 1/20 0.39
PDE4B Q07343 1/20 0.39
PRMT5 O14744 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38
MEN1 O00255 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
SCHEMBL17495523 0.95 SCN9A (0.53) SCN9ANR1H2ALOX5APFEN1USP30
SCHEMBL17495399 0.89 SCN9A (0.57) SCN9ANR1H2PRKCGPRKCBPRKCA
SCHEMBL17495398 0.85 RORC (0.43) SCN9APROKR1
SCHEMBL17963784 0.85 RORC (0.47) SCN9ANR1H2JAK2JAK1USP30
SCHEMBL30962762 0.81 NR1H2 (0.48) SCN9ANR1H2JAK2JAK1ALOX5AP
SCHEMBL12128059 0.80 SCN9A (0.65) SCN9ANR1H2JAK2JAK1PRKCG
SCHEMBL1422095 0.80 ALOX5AP (0.49) SCN9ANR1H2JAK2JAK1ALOX5AP
SCHEMBL17495381 0.79 RORC (0.48)
SCHEMBL17963813 0.79 RORC (0.46) SCN9ANR1H2PRKCGPRKCBPRKCA
SCHEMBL30074442 0.77 SCN9A (0.45) SCN9ANR1H2JAK2JAK1ALOX5AP

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
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
US-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-10-04 US disclosed
EP-3027603-B1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2018-07-18 EP disclosed
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-03-29 US disclosed
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2017-08-17 US disclosed
EP-3027603-A2 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2016-06-08 EP disclosed
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER (US) 2016-02-18 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 (6 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-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885NR1H2 6/4885JAK2 117/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885NR1H2 6/4885JAK2 117/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885NR1H2 6/4885JAK2 117/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885NR1H2 6/4885JAK2 117/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885NR1H2 6/4885JAK2 117/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885NR1H2 6/4885JAK2 117/4885

“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.