SCHEMBL21162009

SCHEMBL21162009

CCCC[C@H]1CC[C@H](NC(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ EPHX1 P07099 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ DRD2 P14416 5/20 0.39
▸ HTR2A P28223 5/20 0.39
▸ DRD3 P35462 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ TLR4 O00206 1/20 0.38

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
SCHEMBL11716947 0.81 CYP1A2 (0.45) EPHX1MAPTCYP1A2NAAAPOLB
SCHEMBL9914200 0.81 CYP1A2 (0.45) EPHX1MAPTCYP1A2NAAAPOLB
SCHEMBL13246784 0.80 ALDH1A1 (0.44) PKMEPHX1MAPTCYP1A2HPGD
SCHEMBL993860 0.80 PKM (0.61) PKMEPHX1MAPTPOLBDRD2
SCHEMBL14840943 0.79 PKM (0.48) PKMPOLBHPGDDRD2HTR2A
SCHEMBL14840942 0.79 PKM (0.48) PKMPOLBHPGDDRD2HTR2A
SCHEMBL15177350 0.76 CYP1A2 (0.46) PKMEPHX1MAPTCYP1A2HPGD
SCHEMBL12901114 0.75 EPHX1 (0.54) EPHX1
SCHEMBL13267848 0.75 CYP1A2 (0.48) PKMEPHX1MAPTCYP1A2POLB
SCHEMBL15338379 0.75 CYP1A2 (0.44) PKMEPHX1MAPTCYP1A2HPGD

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 728/4885EPHX1 2433/4885MAPT 1424/4885

“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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