SCHEMBL689874

SCHEMBL689874

C1CC(c2nnn[nH]2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
PARP1 P09874 1/20 0.31
HPGDS O60760 1/20 0.31
MKNK1 Q9BUB5 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
HTR2C P28335 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
Hydrochloric Acid SCHEMBL4689067 0.98 MEN1 (0.35) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL5831201 0.88 HTR3A (0.36) PARP1HPGDS
SCHEMBL7514208 0.88 HTR3A (0.36) PARP1HPGDS
SCHEMBL4106382 0.88 HTR3A (0.36) PARP1HPGDS
Trifluoroacetic Acid SCHEMBL27196284 0.83 PARP1 (0.35) HRH3HRH4PARP1HTR2C
SCHEMBL2335166 0.82 ALDH1A1 (0.38)
SCHEMBL7856962 0.82
SCHEMBL7853880 0.80 ALDH1A1 (0.41) MAPT
SCHEMBL2704429 0.80 ALDH1A1 (0.41) MAPT
SCHEMBL1488881 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
EP-3894402-B1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2023-07-05 EP disclosed
WO-2023055178-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2023-04-06 WO disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
EP-3714012-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2023-01-11 EP disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2022-06-02 US disclosed
EP-3929203-A1 DERIVATIVES OF AMPHOTERICIN B Sfunga Therapeutics, Inc. (US) 2021-12-29 EP disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 US disclosed
EP-1322596-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-07-02 EP disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 US disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 US disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 WO disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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 (6 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-20220169639-A1 N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR0B1, CYP7A1 SLC18A3 3677/4885SIGMAR1 925/4885HRH3 606/4885
US-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA SLC18A3 1811/4885SIGMAR1 1536/4885HRH3 2026/4885
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R SLC18A3 316/4885SIGMAR1 345/4885HRH3 201/4885
US-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 SLC18A3 802/4885SIGMAR1 4172/4885HRH3 3525/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 SLC18A3 3121/4885SIGMAR1 360/4885HRH3 433/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 SLC18A3 802/4885SIGMAR1 4172/4885HRH3 3525/4885

“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.