Sugi Predict

Sugi Predict / Compounds / SCHEMBL335166

SCHEMBL335166

SCHEMBL335166

NCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ CA1 P00915 3/20 0.57
▸ CA2 P00918 3/20 0.57
▸ CA7 P43166 3/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ TNKS O95271 1/20 0.53
▸ PARP1 P09874 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ SIGMAR1 Q99720 6/20 0.52
▸ TMEM97 Q5BJF2 2/20 0.51
▸ ENPP2 Q13822 1/20 0.51
▸ HTR1A P08908 1/20 0.48
▸ DRD4 P21917 1/20 0.48

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
SCHEMBL6947801 0.92 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL29170427 0.89 SIGMAR1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL31421436 0.88 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL24309197 0.87 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL23728563 0.87 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL92564 0.87 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3970912 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4814264 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL379160 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL7393652 0.86 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981259-B Novel heterocyclic compound 豪夫迈·罗氏有限公司 2024-06-18 — — CN disclosed
WO-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 — — WO disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 — — US disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 — — US disclosed
CN-114981259-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2022-08-30 — — CN disclosed
US-20130190248-A1 SUBSTITUTED PEPTIDE ANALOGS AGENSYS, INC. (US) 2013-07-25 — — US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 — — US disclosed
US-7977452-B2 Reacting the thiol ends of two dendron cores [poly(etherhydroxylamine) (PEHAM) and polyamidoamine (PAMAM)] to form a cystamine core; combinatorial libraries, target directors and signaling dendrimers, diagnostic and therapeutic targets for MRI or radiotherapy DENDRITIC NANOTECHNOLOGIES, INC. (US) 2011-07-12 — — US disclosed
US-7977452-B2 Reacting the thiol ends of two dendron cores [poly(etherhydroxylamine) (PEHAM) and polyamidoamine (PAMAM)] to form a cystamine core; combinatorial libraries, target directors and signaling dendrimers, diagnostic and therapeutic targets for MRI or radiotherapy DENDRITIC NANOTECHNOLOGIES, INC. (US) 2011-07-12 — — US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 — — US disclosed
EP-0910563-A4 — — 1999-04-28 — — EP disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 — — EP disclosed
US-5773612-A VASOPRESSIN OR OXYTOCIN RECEPTORS SANOFI (FR) 1998-06-30 — — US disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 — — WO disclosed
US-5594023-A 1,3-dihydroindol-2-one derivatives substituted in the 3-position by a nitrogen-containing group, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1997-01-14 — — US disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 — — EP disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 — — EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 — — WO disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 — — WO disclosed
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 — — 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 (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-20130190248-A1 SUBSTITUTED PEPTIDE ANALOGS NGLY1, VIP, DNPEP MEN1 143/4885KMT2A 2205/4885NPSR1 352/4885
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 MEN1 26/4885KMT2A 3745/4885NPSR1 1207/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 MEN1 2456/4885KMT2A 939/4885NPSR1 2990/4885

“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.