Sugi Predict

Sugi Predict / Compounds / SCHEMBL3335937

SCHEMBL3335937

SCHEMBL3335937

O=C(OCc1ccccc1)N1CC2CNC2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HTR2C P28335 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ F13A1 P00488 1/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ TGM1 P22735 1/20 0.47
▸ GRIN2B Q13224 3/20 0.46
▸ P2RX4 Q99571 1/20 0.45
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43

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
SCHEMBL3822619 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL1795685 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL3058628 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL14964692 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL30993374 0.85 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL6094897 0.85 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL31288321 0.85 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL13156576 0.84 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTR2CMEN1
Hydrochloric Acid SCHEMBL19742033 0.83 HTR2C (0.60) SMN1; SMN2NPC1RAB9AHTR2CMEN1
SCHEMBL3717717 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHTR2CMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398141-B2 JAK kinase inhibitor, preparation method for same, and applications thereof in field of medicine SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD (CN) 2025-08-26 — — US disclosed
US-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD (CN) 2022-06-16 — — US disclosed
US-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE SHANGHAI SYNERGY PHARMACEUTICAL SCIENCES CO., LTD (CN) 2022-06-16 — — US disclosed
US-9062044-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 — — US disclosed
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 — — US disclosed
EP-2491031-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-07 — — EP disclosed
US-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-05-30 — — US disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 — — US disclosed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 — — WO disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 — — WO disclosed
US-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2010-06-10 — — US disclosed
WO-2008112734-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS TARGACEPT, INC. (US) 2008-09-18 — — 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 (5 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-20100144700-A1 HETEROCYCLIC-CARBONYL-DIAZABICYCLOALKANES AS MODULATORS OF THE NEURONAL NICOTINIC ACETYLCHOLINE ALPHA 4 BETA 2, SUBTYPE RECEPTOR FOR THE TREATMENT OF CNS RELATED DISORDERS CHRNA10, CHRNA2, CHRNE SMN1; SMN2 876/4885NPC1 811/4885RAB9A 2158/4885
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR SMN1; SMN2 1720/4885NPC1 815/4885RAB9A 1926/4885
US-12398141-B2 JAK kinase inhibitor, preparation method for same, and applications thereof in field of medicine JAK1, JAK2, JAK3 SMN1; SMN2 3849/4885NPC1 3749/4885RAB9A 1152/4885
US-20220185816-A1 JAK KINASE INHIBITOR, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF IN FIELD OF MEDICINE JAK1, JAK2, JAK3 SMN1; SMN2 3849/4885NPC1 3749/4885RAB9A 1152/4885
US-20130137672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR SMN1; SMN2 2523/4885NPC1 883/4885RAB9A 2875/4885

“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.