SCHEMBL17320197

SCHEMBL17320197

CC1(COCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.42
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL20049050 0.87 TSHR (0.54) TACR1TSHRALDH1A1POLBKDM4E
SCHEMBL17611895 0.84 TACR1 (0.44) TACR1TSHRCYP2C9CYP2C19L3MBTL1
SCHEMBL9982226 0.83 CYP2C9 (0.39) TACR1TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL19449977 0.82 TACR1 (0.40) TACR1TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL416619 0.82 TACR1 (0.42) TACR1TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL31721404 0.81 TACR1 (0.41) TACR1TSHRCYP2C9CYP2C19L3MBTL1
SCHEMBL2149839 0.79 TACR1 (0.40) TACR1TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL711818 0.79 TSHR (0.48) TACR1TSHRALDH1A1POLBKDM4E
SCHEMBL12346167 0.79 MAOA (0.41) TSHRALDH1A1L3MBTL1POLBGAA
SCHEMBL715051 0.79 TSHR (0.52) TACR1TSHRALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
EP-2554541-B1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR FIBROMYALGIA TORAY INDUSTRIES (JP) 2015-12-09 EP 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL TACR1 3989/4885TSHR 4103/4885CYP2C9 748/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 TACR1 3837/4885TSHR 3525/4885CYP2C9 104/4885

“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.