SCHEMBL15080322

SCHEMBL15080322

CC(=O)C1CC(C(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL12868770 1.00 TSHR (0.32) TSHRROCK2ROCK1
SCHEMBL26492652 1.00 TSHR (0.32) TSHRROCK2ROCK1
SCHEMBL10885253 0.83 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL13186237 0.83 LMNA (0.35)
SCHEMBL19014080 0.80
SCHEMBL15242463 0.80 ALDH1A1 (0.32)
SCHEMBL12385831 0.79 APLNR (0.39) TSHR
SCHEMBL11625869 0.79 IDH1 (0.31) ROCK2ROCK1
SCHEMBL11462533 0.79 APLNR (0.39) TSHR
SCHEMBL12304003 0.79 APLNR (0.39) TSHR

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-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230139321-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-20170158703-A9 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-06-08 US disclosed
US-20160194331-A1 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-07-07 US disclosed
US-20130252883-A1 Macrocycles and Their Uses NOVARTIS AG (CH) 2013-09-26 US disclosed
US-8476224-B2 Macrocycles and their uses NOVARTIS AG (US) 2013-07-02 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 (8 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-20230322741-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 TSHR 804/4885ROCK2 2361/4885ROCK1 2548/4885
US-20160194331-A1 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 TSHR 2130/4885ROCK2 2184/4885ROCK1 1126/4885
US-20130252883-A1 Macrocycles and Their Uses MRPL21, CLPP, MLEC TSHR 1888/4885ROCK2 2204/4885ROCK1 2782/4885
US-20230139321-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 TSHR 804/4885ROCK2 2361/4885ROCK1 2548/4885
US-20170158703-A9 METHOD FOR PRODUCING SPIROOXINDOLE DERIVATIVE MDM2, TP53, RB1 TSHR 2130/4885ROCK2 2184/4885ROCK1 1126/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 TSHR 3605/4885ROCK2 453/4885ROCK1 340/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 TSHR 2764/4885ROCK2 3141/4885ROCK1 1963/4885
US-20230159580-A1 PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINA3, SERPINC1 TSHR 1629/4885ROCK2 2921/4885ROCK1 1508/4885

“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.