SCHEMBL4435451

SCHEMBL4435451

CC(C)(C)OC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
LMNA P02545 3/20 0.63
ALDH1A1 P00352 2/20 0.63
GRM5 P41594 1/20 0.56
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
MET P08581 1/20 0.54
ENPP2 Q13822 5/20 0.54
HSD11B1 P28845 1/20 0.52
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52
GPR119 Q8TDV5 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL30998112 1.00 MAPT (0.63) MAPTLMNAALDH1A1GRM5HTT
SCHEMBL1247295 0.89 MAPT (0.59) MAPTLMNAALDH1A1GRM5KMT2A
SCHEMBL29608605 0.88 MAPT (0.58) MAPTLMNAALDH1A1GRM5KMT2A
SCHEMBL28773828 0.88 MAPT (0.58) MAPTLMNAALDH1A1GRM5KMT2A
SCHEMBL2977592 0.87 ALDH1A1 (0.63) MAPTLMNAALDH1A1GRM5HTT
SCHEMBL24130446 0.87 MAPT (0.57) MAPTLMNAALDH1A1GRM5KMT2A
SCHEMBL30481715 0.87 MAPT (0.57) MAPTLMNAALDH1A1GRM5KMT2A
SCHEMBL29933078 0.86 CYP11B2 (0.53) MAPTLMNAALDH1A1GRM5HTT
SCHEMBL23411805 0.86 CYP11B2 (0.53) MAPTLMNAALDH1A1GRM5HTT
SCHEMBL6845368 0.86 MAPT (0.56) MAPTLMNAALDH1A1GRM5KMT2A

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP claimed
US-20240254083-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. 2024-08-01 US disclosed
CN-118234726-A Chimeric compound for androgen receptor protein targeted degradation, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-21 CN disclosed
EP-4337206-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2024-03-20 EP disclosed
WO-2023093845-A1 CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2023-06-01 WO disclosed
WO-2022240992-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2022-11-17 WO disclosed
EP-2982671-B1 COMPOUND SUITABLE FOR DETECTION OF VESICULAR ACETYLCHOLINE TRANSPORTER HAMAMATSU PHOTONICS KK (JP) 2018-11-14 EP disclosed
US-10093630-B2 Pyrazole compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998025617-A1 SUBSTITUTED ARYL PIPERAZINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
US-5563142-A INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE THE UPJOHN COMPANY (US) 1996-10-08 US disclosed
EP-0507861-B1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS UPJOHN CO (US) 1996-09-11 EP disclosed
US-5489593-A Anti-aids piperazines THE UPJOHN COMPANY (US) 1996-02-06 US disclosed
EP-0507861-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. UPJOHN CO (US) 1992-10-14 EP disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 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-20240254083-A1 HETEROCYCLIC TRPML1 AGONISTS AND USES THEREOF TRPM2, TRPM7, TRPM8 MAPT 1870/4885LMNA 2150/4885ALDH1A1 2748/4885
US-10093630-B2 Pyrazole compounds and methods of making and using same ABHD6, FAAH, FAAH2 MAPT 4504/4885LMNA 4598/4885ALDH1A1 1322/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR MAPT 1388/4885LMNA 3104/4885ALDH1A1 3942/4885

“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.