SCHEMBL318820

SCHEMBL318820

CN1CCN(C(=O)CCl)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 1/20 0.59
CYP1A2 P05177 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR1A P08908 1/20 0.47
LMNA P02545 1/20 0.46
GPX4 P36969 1/20 0.43
MAPT P10636 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
KMT2A Q03164 1/20 0.42

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 SCHEMBL6031483 0.98 ALDH1A1 (0.57) ALDH1A1HTTSMN1; SMN2POLBCYP1A2
SCHEMBL27270658 0.92 ALDH1A1 (0.52) ALDH1A1HTTSMN1; SMN2POLBCYP1A2
SCHEMBL8978116 0.87 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBTDP1
SCHEMBL11844730 0.87
SCHEMBL9279972 0.87 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBTDP1
SCHEMBL11023000 0.82 TDP1 (0.48) ALDH1A1HTTSMN1; SMN2POLBCYP1A2
SCHEMBL23194425 0.81 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL5693136 0.81 ALDH1A1 (0.59) ALDH1A1HTTSMN1; SMN2POLBCYP1A2
SCHEMBL10466478 0.81 ALDH1A1 (0.64) ALDH1A1HTTSMN1; SMN2POLBLMNA
SCHEMBL11291866 0.79 TDP1 (0.50) ALDH1A1HTTSMN1; SMN2POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed
CN-109336828-B Quinazoline derivative and preparation method and application thereof 雅安职业技术学院 2022-04-26 CN disclosed
EP-3489226-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2021-02-17 EP disclosed
EP-3091984-B1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2020-04-22 EP disclosed
US-10611741-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2020-04-07 US disclosed
EP-3489226-A1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 Lexicon Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS NANOSYN INC. 2019-04-11 US disclosed
EP-2925735-B1 INHIBITORS OF SODIUM GLUCOSE COTRANSPORTER 1 LEXICON PHARMACEUTICALS INC (US) 2019-03-13 EP disclosed
EP-2928869-B1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed
US-10106569-B2 Inhibitors of sodium glucose transporter 1 for constipation LEXICON PHARMACEUTICAL, INC. (US) 2018-10-23 US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
EP-1716123-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Altana Pharma AG (DE) 2006-11-02 EP disclosed
WO-2005075437-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
EP-0061709-B1 5,6-DIHYDRO-11-ALKYLENE-MORPHANTRIDIN-6-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1985-06-05 EP disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
US-4399139-A ANTIULCER BASF AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
EP-0061709-A1 5,6-Dihydro-11-alkylene-morphantridin-6-ones, process for their preparation and pharmaceutical preparations containing them BASF Aktiengesellschaft (DE) 1982-10-06 EP disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B ALDH1A1 639/4885HTT 2011/4885SMN1; SMN2 4428/4885
US-10106569-B2 Inhibitors of sodium glucose transporter 1 for constipation SLC5A1, SLC5A2, SLC10A2 ALDH1A1 625/4885HTT 2011/4885SMN1; SMN2 1882/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR ALDH1A1 1370/4885HTT 741/4885SMN1; SMN2 4271/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ALDH1A1 2594/4885HTT 4219/4885SMN1; SMN2 4873/4885
US-10611741-B2 Substituted benzoxazine and related compounds ABCG2, XDH, CYP3A5 ALDH1A1 367/4885HTT 1626/4885SMN1; SMN2 3014/4885
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 ALDH1A1 263/4885HTT 1858/4885SMN1; SMN2 1573/4885

“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.