SCHEMBL19698902

SCHEMBL19698902

CCCCCO[C@H]1CC[C@H](C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
GBA1 P04062 3/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCRTR2 O43614 10/20 0.34
SPHK1 Q9NYA1 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL19705365 1.00 EPHX2 (0.40) EPHX2GBA1ALDH1A1TDP1HCRTR2
SCHEMBL15746435 0.94 EPHX2 (0.35) EPHX2HCRTR2
SCHEMBL26404577 0.89 TSHR (0.36) EPHX2ALDH1A1TDP1HCRTR2
SCHEMBL10327057 0.86 HCRTR2 (0.36) HCRTR2
SCHEMBL10077153 0.86 HCRTR2 (0.36) HCRTR2
SCHEMBL5987408 0.85
SCHEMBL11451186 0.83 GBA1 (0.50) EPHX2GBA1ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL4076473 0.83 EPHX2 (0.45) EPHX2GBA1ALDH1A1TDP1
SCHEMBL20518475 0.81 GBA1 (0.39) EPHX2GBA1ALDH1A1TDP1SPHK1
SCHEMBL28356186 0.81 GBA1 (0.39) EPHX2GBA1ALDH1A1TDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185814-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2022-06-16 US disclosed
US-11345698-B2 Substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-a]pyrazines, related compounds, and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-05-31 US disclosed
US-11168087-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2021-11-09 US disclosed
US-9868742-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b] pyridazines, related compounds, and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2018-01-16 US disclosed
US-9868742-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b] pyridazines, related compounds, and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2018-01-16 US disclosed
US-20170355702-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b] PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-14 US disclosed
US-20170355702-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b] PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2017-12-14 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 (4 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-20170355702-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b] PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, GALC EPHX2 4113/4885GBA1 1/4885ALDH1A1 2739/4885
US-11168087-B2 Substituted imidazo[1,2-b]pyridazines, substituted imidazo[1,5-b]pyridazines, related compounds, and their use in the treatment of medical disorders GBA1, GBA2, GALC EPHX2 4113/4885GBA1 1/4885ALDH1A1 2739/4885
US-11345698-B2 Substituted imidazo[1,2-a]pyridines, substituted imidazo[1,2-a]pyrazines, related compounds, and their use in the treatment of medical disorders PARK7, GBA1, SNCA EPHX2 4426/4885GBA1 2/4885ALDH1A1 1911/4885
US-20220185814-A1 SUBSTITUTED IMIDAZO[1,2-b]PYRIDAZINES, SUBSTITUTED IMIDAZO[1,5-b]PYRIDAZINES, RELATED COMPOUNDS, AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, GALC EPHX2 4113/4885GBA1 1/4885ALDH1A1 2739/4885

“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.