SCHEMBL17495437

SCHEMBL17495437

N#Cc1cccc(C(=O)Nc2ccc3[nH]cc(C4CCNCC4)c3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.73
HTR1B P28222 11/20 0.54
HTR1A P08908 2/20 0.54
HTR1F P30939 2/20 0.54
NMT2 O60551 1/20 0.54
NMT1 P30419 1/20 0.54
APP P05067 1/20 0.52
HTR1D P28221 13/20 0.52
CHRM2 P08172 1/20 0.49
DRD2 P14416 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL7478523 0.87 HTR1D (0.60) RORCHTR1BHTR1AHTR1FNMT2
SCHEMBL17495505 0.85 RORC (1.00) RORCHTR1BHTR1AHTR1F
SCHEMBL17495501 0.84 RORC (0.75) RORCHTR1BHTR1AHTR1FHTR1D
SCHEMBL17495532 0.84 RORC (0.75) RORCHTR1BHTR1AHTR1FHTR1D
SCHEMBL17495450 0.84 RORC (0.79) RORCHTR1BHTR1AHTR1FHTR1D
SCHEMBL7483539 0.83 RORC (0.69) RORCHTR1BHTR1AHTR1FHTR1D
SCHEMBL20393357 0.83 RORC (0.73) RORCHTR1BHTR1AHTR1FHTR1D
SCHEMBL7483530 0.82 RORC (0.68) RORCHTR1BHTR1AHTR1FHTR1D
SCHEMBL7482668 0.81 HTR1D (0.76) HTR1BHTR1AHTR1FNMT2NMT1
SCHEMBL17495507 0.80 RORC (0.74) RORCHTR1BHTR1AHTR1F

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 RORC 1/4885HTR1B 3631/4885HTR1A 3780/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA RORC 1/4885HTR1B 3631/4885HTR1A 3780/4885
US-20160046597-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA RORC 1/4885HTR1B 3631/4885HTR1A 3780/4885
US-20180086736-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA RORC 1/4885HTR1B 3631/4885HTR1A 3780/4885
US-20170233371-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA RORC 1/4885HTR1B 3631/4885HTR1A 3780/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA RORC 1/4885HTR1B 3631/4885HTR1A 3780/4885

“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.