SCHEMBL21987337

SCHEMBL21987337

COC(=O)C1CC(C(=O)O)CCN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
SLC1A2 P43004 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A1 P43005 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41

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
SCHEMBL8914819 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6519671 0.86 CYP1A2 (0.46) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
SCHEMBL6520647 0.86 CYP1A2 (0.46) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
Hydrochloric Acid SCHEMBL6519668 0.84 CYP1A2 (0.44) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
Hydrochloric Acid SCHEMBL6520643 0.84 CYP1A2 (0.44) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
SCHEMBL28194073 0.81 CYP1A2 (0.64) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
SCHEMBL14979642 0.81 CYP1A2 (0.64) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
SCHEMBL4841451 0.81 CYP1A2 (0.61) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
SCHEMBL4841462 0.81 CYP1A2 (0.61) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6
SCHEMBL4841468 0.81 CYP1A2 (0.61) CYP1A2CYP2C19SLC1A2ALOX15CYP2D6

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 3 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 US disclosed
CN-110809574-A Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection 詹森药业有限公司 2020-02-18 CN 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 CYP1A2 427/4885CYP2C19 689/4885SLC1A2 4219/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 CYP1A2 92/4885CYP2C19 128/4885SLC1A2 3584/4885

“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.