SCHEMBL17495463

SCHEMBL17495463

Cc1c(N)ccc2c1c(C1=CCN(C(=O)OC(C)(C)C)CC1)cn2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.51
PDK4 Q16654 1/20 0.50
HTR6 P50406 1/20 0.48
GRM1 Q13255 11/20 0.46
GRM5 P41594 10/20 0.46
BTK Q06187 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL17495407 0.85 SCN9A (0.47) SCN9APDK4HTR6GRM1GRM5
SCHEMBL14540703 0.79 HTR6 (0.70) SCN9APDK4HTR6GRM1GRM5
SCHEMBL9094823 0.78 PDK4 (0.51) SCN9APDK4HTR6GRM1GRM5
SCHEMBL83700 0.77 PDK4 (0.68) PDK4HTR6GRM1GRM5BTK
SCHEMBL30061046 0.77 PDK4 (0.68) PDK4HTR6GRM1GRM5BTK
SCHEMBL25129377 0.77 BTK (0.51) SCN9APDK4HTR6GRM1GRM5
SCHEMBL17495453 0.77 SCN9A (0.56) SCN9APDK4HTR6GRM1GRM5
SCHEMBL1806361 0.76 PDK4 (0.61) PDK4HTR6GRM1GRM5BTK
SCHEMBL24669481 0.76 PDK4 (0.55) PDK4HTR6GRM1GRM5BTK
SCHEMBL7866389 0.76 SCN9A (0.64) SCN9APDK4HTR6GRM1GRM5

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 8 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
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 3560/4885PDK4 1928/4885HTR6 3303/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885PDK4 1928/4885HTR6 3303/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885PDK4 1928/4885HTR6 3303/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885PDK4 1928/4885HTR6 3303/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885PDK4 1928/4885HTR6 3303/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA SCN9A 3560/4885PDK4 1928/4885HTR6 3303/4885

“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.