SCHEMBL4558894

SCHEMBL4558894

c1ccc2c(C3CCCNC3)nsc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
GRM2 Q14416 1/20 0.40
HPGDS O60760 1/20 0.40
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1545124 0.81 KDM4E (0.49) HTR2AHTR2CKCNH2KDM4EMAPT
Hydrochloric Acid SCHEMBL1838069 0.80 KDM4E (0.51) HTR2AHTR2CKCNH2KDM4EMAPT
SCHEMBL7714021 0.75 HTR2A (0.51) HTR2AHTR2CKCNH2KDM4EDRD2
SCHEMBL31358121 0.75 HTR2A (0.51) HTR2AHTR2CKCNH2KDM4EDRD2
SCHEMBL2978037 0.75 KDM4E (0.42) HTR2AKDM4EMAPTDRD2DRD3
Hydrochloric Acid SCHEMBL3149408 0.73 KDM4E (0.44) KDM4EMAPTDRD2DRD3DRD4
SCHEMBL2201319 0.73 KDM4E (0.41) KDM4EMAPTDRD2DRD3DRD4
SCHEMBL2204018 0.73 DRD2 (0.46) HTR2AKDM4EMAPTDRD2DRD3
SCHEMBL8207212 0.73 HTR2A (0.41) HTR2AKCNH2KDM4EMAPTDRD2
SCHEMBL7965286 0.72 DRD2 (0.41) HTR2AKDM4EMAPTDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547452-B2 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles ALKERMES, INC. (US) 2009-06-16 US disclosed
US-20080069885-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles ALKERMES, INC. (US) 2008-03-20 US disclosed
US-20080063721-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles ALKERMES, INC. (US) 2008-03-13 US disclosed
US-7118763-B2 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles ALKERMES CONTROLLED THERAPEUTICS, INC. II (US) 2006-10-10 US disclosed
US-20060182810-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-17 US disclosed
US-20050025828-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles ALKERMES CONTROLLED THERAPEUTICS INC. II (US) 2005-02-03 US disclosed
EP-0729357-B1 MICROENCAPSULATED 1,2-BENZAZOLES JANSSEN PHARMACEUTICA NV (BE) 2005-02-02 EP disclosed
US-6803055-B2 SUSTAINED RELEASE; BENZAZOLE RING STRUCTURE; PSYCHOLOGICAL DISORDERS ALKERMAS CONTROLLED THERAPEUTICS INC. II 2004-10-12 US disclosed
US-20030165571-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles ALKERMES CONTROLLED THERAPEUTICS INC. II (US) 2003-09-04 US disclosed
US-6544559-B2 Such as 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9 -tetrahydro-2-methyl-4H-pyrido (1,2-a)pyrimidin-4-one for sustained-release via biodegradation; for treatment of mental illness ALKERMES CONTROLLED THERAPEUTICS INC. II 2003-04-08 US disclosed
CN-1024346-C Preparation method of antihypertensive 3-piperidyl indazole derivative JANSSEN PHARMACEUTICA NV (BE) 1994-04-27 CN disclosed
CN-1022566-C Process for preparing novel substituted 1-piperidinoalkylene-pyridopyrimidones or thiazolopyrimidinones JANSSEN PHARMACEUTICA NV (BE) 1993-10-27 CN disclosed
US-5196425-A Antihypertensive 3-piperidinyl-indazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-23 US disclosed
EP-0196132-B1 1,2-BENZISOXAZOL-3-YL AND 1,2-BENZISOTHIAZOL-3-YL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-12 EP disclosed
CN-1040589-A ANTIHYPERTENSIVE 3-PIPERIDINYL-INDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1990-03-21 CN disclosed
US-4804663-A PSYCHOLOGICAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1989-02-14 US disclosed
US-4804663-A PSYCHOLOGICAL DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1989-02-14 US disclosed
EP-0196132-A2 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-01 EP disclosed
EP-0196132-A2 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1986-10-01 EP disclosed
CN-86101906-A Process for preparing 1, 2 benzisoxazol-3-yl and 1, 2 benzisothiazol-3-yl derivatives 1986-10-01 CN 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-20080069885-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles HTR2B, HTR7, HTR3D HTR2A 12/4885HTR2C 6/4885KCNH2 3544/4885
US-20050025828-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles CYP4X1, P2RX5, P2RX1 HTR2A 319/4885HTR2C 146/4885KCNH2 3786/4885
US-20060182810-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles CYP4X1, P2RX5, P2RX1 HTR2A 319/4885HTR2C 146/4885KCNH2 3786/4885
US-20030165571-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles CYP4X1, P2RX5, P2RX1 HTR2A 319/4885HTR2C 146/4885KCNH2 3786/4885
US-20080063721-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles HTR7, HTR2B, HTR1A HTR2A 15/4885HTR2C 8/4885KCNH2 3764/4885

“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.