SCHEMBL313843

SCHEMBL313843

CN1CCC(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44

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
Hydrochloric Acid SCHEMBL16694536 0.99 ALDH1A1 (0.47) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL30391037 0.92 CYP1A2 (0.48) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL20625250 0.87 GAA (0.51) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL2830265 0.86 CYP1A2 (0.52) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL2803614 0.85 CYP1A2 (0.49) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL2722317 0.85 CYP1A2 (0.49) MAPTALDH1A1POLBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16694716 0.84 HTT (0.50) ALDH1A1POLBCYP1A2CYP2D6L3MBTL1
SCHEMBL3285385 0.83 CYP1A2 (0.51) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL1560458 0.83 CYP1A2 (0.51) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL21498615 0.83 POLB (0.69) POLBCYP2C9CYP2C19CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3801553-B1 PRODRUGS OF FULVESTRANT KASHIV BIOSCIENCES LLC (US) 2026-03-25 EP disclosed
EP-4556480-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS Fileclo Spolka Z Ograniczona Odpowiedzialnoscia (PL) 2025-05-21 EP disclosed
US-20240294541-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS FILECLO SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2024-09-05 US disclosed
EP-4380939-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS Fileclo Spolka Z Ograniczona Odpowiedzialnoscia (PL) 2024-06-12 EP disclosed
CN-118103377-A Compounds constituting C20 modified salinomycin derivatives, process for obtaining the compounds, compositions containing the compounds and uses of said compounds 菲莱克洛有限责任公司 2024-05-28 CN disclosed
CN-117903036-A Synthesis and application of novel FXR (FXR) agonist 厦门市博瑞来医药科技有限公司 2024-04-19 CN disclosed
WO-2023012323-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS FILECLO SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2023-02-09 WO disclosed
US-20210253626-A1 PRODRUGS OF FULVESTRANT KI PHARMACEUTICALS, LLC 2021-08-19 US disclosed
EP-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP disclosed
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US disclosed
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO 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 (3 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-20210253626-A1 PRODRUGS OF FULVESTRANT CYP19A1, PGR, CYP21A2 MAPT 4155/4885ALDH1A1 746/4885POLB 3334/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC MAPT 4470/4885ALDH1A1 2717/4885POLB 3042/4885
US-20240294541-A1 COMPOUNDS CONSTITUTING C20-MODIFIED SALINOMYCIN DERIVATIVES, A METHOD FOR OBTAINING THE SAME, A COMPOSITION CONTAINING THE SAME AND A USE OF SAID COMPOUNDS MRPS22, MRPS27, DHPS MAPT 4251/4885ALDH1A1 2884/4885POLB 2360/4885

“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.