SCHEMBL29600293

SCHEMBL29600293

CC1=C(C(=O)OC(C)C)[C@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
CYP1A2 P05177 7/20 0.74
CYP3A4 P08684 7/20 0.74
CYP2C9 P11712 7/20 0.74
CYP2C19 P33261 7/20 0.74
CACNA1C Q13936 5/20 0.74
ADORA3 P0DMS8 5/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
CYP2D6 P10635 3/20 0.74
NR1I2 O75469 2/20 0.74
NR3C1 P04150 2/20 0.74
TBXA2R P21731 2/20 0.74
CCKBR P32239 2/20 0.74
PDE4D Q08499 2/20 0.74
SCN5A Q14524 2/20 0.74
MLNR O43193 1/20 0.74
ABCB11 O95342 1/20 0.74
CYP2C8 P10632 1/20 0.74
ALOX15 P16050 1/20 0.74

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
SCHEMBL9187081 1.00 MAPT (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4797073 0.89 CYP1A2 (0.92) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7446251 0.86 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10823937 0.86 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Isradipine SCHEMBL3070351 0.86 CYP1A2 (0.81) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
Isradipine SCHEMBL1172992 0.85 CYP2C9 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
(S)-Isradipine SCHEMBL34557 0.85 CYP2C9 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
(R)-Isradipine SCHEMBL34556 0.85 CYP2C9 (1.00) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10924747 0.85 CYP1A2 (0.84) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4797084 0.85 CYP1A2 (0.84) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4578941-A2 COMBINED CHEMICAL AND GENETIC APPROACHES FOR GENERATION OF INDUCED PLURIPOTENT STEM CELLS The Scripps Research Institute (US) 2025-07-02 EP disclosed
EP-4438734-A2 REPROGRAMMING OF CELLS TO A NEW FATE The Scripps Research Institute (US) 2024-10-02 EP disclosed
EP-3399026-B1 REPROGRAMMING OF CELLS TO A NEW FATE SCRIPPS RESEARCH INST (US) 2024-06-26 EP disclosed
US-11332716-B2 Methods and compositions for producing pancreatic beta cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-17 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-11332716-B2 Methods and compositions for producing pancreatic beta cells IAPP, ALPG, AMY2A MAPT 4517/4885CYP1A2 4820/4885CYP3A4 4821/4885

“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.