Sugi Predict

Sugi Predict / Compounds / SCHEMBL878682

SCHEMBL878682

SCHEMBL878682

CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.78
▸ MC4R P32245 1/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ TP53 P04637 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ POLB P06746 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.65
▸ DRD4 P21917 1/20 0.62
▸ RAB9A P51151 1/20 0.61
▸ ACHE P22303 1/20 0.60
▸ CHRNA7 P36544 1/20 0.59
▸ CCR3 P51677 1/20 0.56

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
SCHEMBL6661493 1.00 SIGMAR1 (0.78) SIGMAR1MC4RALDH1A1KDM4ENPC1
SCHEMBL1045589 1.00 SIGMAR1 (0.78) SIGMAR1MC4RALDH1A1KDM4ENPC1
SCHEMBL13062546 0.94 SIGMAR1 (0.69) SIGMAR1MC4RALDH1A1KDM4ENPC1
Isothiocyanate SCHEMBL2892810 0.89 SIGMAR1 (0.62) SIGMAR1MC4RALDH1A1KDM4ENPC1
SCHEMBL576868 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL8188324 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL242970 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL2489199 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL1041303 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA
SCHEMBL1415730 0.89 SIGMAR1 (1.00) SIGMAR1MC4RKMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751874-B 1-Benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoters and uses thereof 江南大学 2025-01-24 — — CN disclosed
CN-114751874-B 1-Benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoters and uses thereof 江南大学 2025-01-24 — — CN disclosed
CN-114751874-B 1-Benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoters and uses thereof 江南大学 2025-01-24 — — CN disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 — — US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 — — US disclosed
CN-114751874-A 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof 江南大学 2022-07-15 — — CN disclosed
CN-114751874-A 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof 江南大学 2022-07-15 — — CN disclosed
CN-114751874-A 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof 江南大学 2022-07-15 — — CN disclosed
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 — — EP disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 — — WO disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 — — US disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 — — WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 — — US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 — — US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 — — US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166572-B1 Cyclohexapeptide compounds, processes for their production and their use as a pharmaceutical AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 — — WO disclosed
EP-1204658-A1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 — — EP disclosed
WO-2001009123-A1 BENZOFURYLPIPERAZINE SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 — — 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 (4 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-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 SIGMAR1 1319/4885MC4R 2624/4885ALDH1A1 3608/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS SIGMAR1 3790/4885MC4R 3856/4885ALDH1A1 137/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 SIGMAR1 3709/4885MC4R 2805/4885ALDH1A1 2267/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SIGMAR1 3863/4885MC4R 1247/4885ALDH1A1 2868/4885

“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.