SCHEMBL4558892

SCHEMBL4558892

c1ccc2c(N3CCCCC3)nsc2c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
MAPT P10636 1/20 0.71
HPGD P15428 1/20 0.60
SORD Q00796 2/20 0.53
HTR1A P08908 2/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
DRD3 P35462 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL2203253 0.86 KDM4E (0.67) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL6884485 0.84 KDM4E (0.65) KDM4EMAPTSORDHTR1ADRD2
Benzisothiazole-3-Yl-Piperazine SCHEMBL250876 0.84 KDM4E (0.97) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL11637734 0.84 KDM4E (0.65) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL20428029 0.84 KDM4E (0.65) KDM4EMAPTSORDHTR1ADRD2
Benzisothiazole-3-Yl-Piperazine SCHEMBL29432928 0.84 KDM4E (0.97) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL13591224 0.84 KDM4E (0.65) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL9722339 0.84 KDM4E (0.88) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL2539346 0.84 KDM4E (0.60) KDM4EMAPTSORDHTR1ADRD2
SCHEMBL7777530 0.83 KDM4E (0.56) KDM4EMAPTSORDHTR1ADRD2

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 47 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
CN-1223348-C N-(aryloxy group alkyl) heteroaromatic guadine and heteroaromatic guazine used as medicines AVENTIS MEDICINES INC (US) 2005-10-19 CN 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
EP-0357134-A1 Antihypertensive 3-piperidinyl-indazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-03-07 EP 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
US-4558056-A PSYCHOLOGICAL DISORDERS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-10 US disclosed
US-4524074-A TREATMENT OF PSYCHOSES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-06-18 US disclosed
EP-0127167-A2 3-(4-Piperidinyl)-1,2-benzisothiazoles and derivatives, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-12-05 EP disclosed
US-4458076-A ANALGESICS, ANTIPSYCHOTICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1984-07-03 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-20080069885-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles HTR2B, HTR7, HTR3D KDM4E 2185/4885MAPT 1127/4885HPGD 1345/4885
US-20050025828-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles CYP4X1, P2RX5, P2RX1 KDM4E 1915/4885MAPT 3126/4885HPGD 1955/4885
US-20060182810-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles CYP4X1, P2RX5, P2RX1 KDM4E 1915/4885MAPT 3126/4885HPGD 1955/4885
US-20030165571-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles CYP4X1, P2RX5, P2RX1 KDM4E 1915/4885MAPT 3126/4885HPGD 1955/4885
US-20080063721-A1 Microencapsulated 3-piperidinyl-substituted 1,2-benzisoxazoles and 1,2-benzisothiazoles HTR7, HTR2B, HTR1A KDM4E 2558/4885MAPT 1235/4885HPGD 1215/4885

“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.