SCHEMBL21162002

SCHEMBL21162002

COC(=O)NC[C@H]1C[C@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX1 P07099 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 2/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31

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
SCHEMBL8156249 0.88 TSHR (0.39) PKMSMN1; SMN2EPHX1TSHR
SCHEMBL25956363 0.83 PKM (0.36) PKMSMN1; SMN2EPHX1TDP1TSHR
SCHEMBL25956354 0.83 PKM (0.36) PKMSMN1; SMN2EPHX1TDP1TSHR
SCHEMBL21161736 0.82 TDP1 (0.38) PKMSMN1; SMN2EPHX1TDP1TSHR
SCHEMBL13698907 0.82 TDP1 (0.47) SMN1; SMN2EPHX1TDP1PSEN1PSEN2
SCHEMBL23562349 0.81 KMT2A (0.43) EPHX1TDP1MEN1KMT2A
SCHEMBL23562337 0.81 KMT2A (0.43) EPHX1TDP1MEN1KMT2A
SCHEMBL22130590 0.81 TSHR (0.40) TSHRMEN1KMT2A
SCHEMBL8290413 0.80 — —
SCHEMBL7904682 0.80 TDP1 (0.54) SMN1; SMN2EPHX1TDP1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 — — 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 (1 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 PKM 728/4885SMN1; SMN2 1626/4885EPHX1 2433/4885

“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.

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