Sugi Predict

Sugi Predict / Compounds / SCHEMBL458698

SCHEMBL458698

SCHEMBL458698

c1ccc2c(N3CCCCC3)noc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.58
▸ SORD Q00796 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ATM Q13315 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ HTR2A P28223 1/20 0.45

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
SCHEMBL9377818 0.98 HPGD (0.55) HPGDSORDSMN1; SMN2MEN1GFER
SCHEMBL3236794 0.84 SORD (0.51) SORDDRD2DRD4SIGMAR1HTR1A
SCHEMBL194219 0.83 HTR2C (0.50) SORDKDM4EDRD2DRD4SIGMAR1
SCHEMBL14046594 0.83 SORD (0.54) SORDDRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL6219759 0.81 KDM4E (0.51) HPGDSORDKDM4EDRD2DRD4
SCHEMBL5568459 0.81 HTR1A (0.49) SORDDRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL5567668 0.80 HTR1A (0.48) SORDDRD2HTR1AHTR2A
SCHEMBL23064319 0.79 SORD (0.50) SORDKDM4EDRD2DRD4SIGMAR1
SCHEMBL30778007 0.79 SORD (0.50) SORDKDM4EDRD2DRD4SIGMAR1
SCHEMBL30777991 0.78 SORD (0.62) SORDSMN1; SMN2MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE NHWA PHARMA. CORPORATION (CN) 2011-12-15 — — US claimed
WO-2007137224-A2 METHOD OF TREATMENT VANDA PHARMACEUTICALS, INC. (US) 2007-11-29 — — WO claimed
WO-2001017993-A1 ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 2001-03-15 — — WO claimed
EP-0730594-B1 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1999-09-08 — — EP claimed
EP-0730594-A1 NOVEL 9-HYDROXY-PYRIDO [1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-11 — — EP claimed
WO-1995014691-A1 NOVEL 9-HYDROXY-PYRIDO[1,2-a]PYRIMIDIN-4-ONE ETHER DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-06-01 — — WO claimed
EP-0368388-B1 3-Piperidinyl-1,2-benzisoxazoles JANSSEN PHARMACEUTICA NV (BE) 1995-05-10 — — EP claimed
EP-0368388-A2 3-Piperidinyl-1,2-benzisoxazoles JANSSEN PHARMACEUTICA N.V. (BE) 1990-05-16 — — EP claimed
JP-2191276-A — — None — — JP disclosed
US-12478619-B2 Method of treatment with milsaperidone VANDA PHARMACEUTICALS INC. (US) 2025-11-25 — — US disclosed
US-20250090518-A1 METHOD OF TREATMENT WITH MILSAPERIDONE VANDA PHARMACEUTICALS INC. 2025-03-20 — — US disclosed
CN-119033737-A Oral films comprising lurasidone LTS罗曼治疗系统股份公司 2024-11-29 — — CN disclosed
US-11040041-B2 Method of treating pulmonary arterial hypertension Cipla (UK) Limited (GB) 2021-06-22 — — US disclosed
US-20200155557-A1 METHOD OF TREATING PULMONARY ARTERIAL HYPERTENSION Cipla (UK) Limited (IN) 2020-05-21 — — US disclosed
US-4469869-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-09-04 — — US disclosed
US-4408054-A ANALGESTICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 — — US disclosed
US-4408053-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 — — US disclosed
EP-0080104-A2 3-(4-Piperidyl)-1,2-benzisoxazoles, process for the preparation thereof, and a pharmaceutical composition comprising the same HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-01 — — EP disclosed
US-4355037-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1982-10-19 — — US disclosed
US-4352811-A NEUROLEPTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-10-05 — — US 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-20110306638-A1 BENZISOXAZOLE PIPERIDINYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE DERIVATIVES AND THEIR USE HTR2A, HTR2C, HTR5A HPGD 1830/4885SORD 1684/4885SMN1; SMN2 2728/4885
US-12478619-B2 Method of treatment with milsaperidone NPEPPS, METAP2, PRCP HPGD 589/4885SORD 241/4885SMN1; SMN2 1465/4885
US-20200155557-A1 METHOD OF TREATING PULMONARY ARTERIAL HYPERTENSION PAH, PDE3B, NPPA HPGD 668/4885SORD 3422/4885SMN1; SMN2 3998/4885
US-20250090518-A1 METHOD OF TREATMENT WITH MILSAPERIDONE NPEPPS, METAP2, PRCP HPGD 589/4885SORD 241/4885SMN1; SMN2 1465/4885
US-11040041-B2 Method of treating pulmonary arterial hypertension PAH, PDE3B, NPPA HPGD 668/4885SORD 3422/4885SMN1; SMN2 3998/4885

“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.