SCHEMBL795369

SCHEMBL795369

c1ccc2c(C3CCCNC3)noc2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
GRM4 Q14833 1/20 0.38
DRD3 P35462 1/20 0.38
HTR6 P50406 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
SCHEMBL9377809 0.91 HTR1A (0.39) HTR2ADRD2HTR1A
SCHEMBL373467 0.81 BCHE (0.44) HTR2AHTR2CDRD2HTR1A
SCHEMBL12026856 0.81 HIF1A (0.49) HTR2ADRD2HTR1AGRM4
SCHEMBL5905924 0.81 CDC7 (0.46) HTR2AHTR2CDRD2GRM4
Hydrochloric Acid SCHEMBL1545403 0.80 BCHE (0.43) HTR2AHTR2CDRD2HTR1A
SCHEMBL5995383 0.80 BCHE (0.43) HTR2ADRD2HTR1A
SCHEMBL23175425 0.79 DRD2 (0.46) HTR2ADRD2HTR1A
Hydrochloric Acid SCHEMBL7256201 0.75 DRD2 (0.47) HTR2AKCNH2DRD2HTR1A
SCHEMBL9274343 0.75 SSTR4 (0.36) HTR2ADRD2HTR1A
Hydrochloric Acid SCHEMBL7256202 0.74 DRD2 (0.43) HTR2AKCNH2DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10576083-B2 Method of treating pulmonary arterial hypertension Cipla (UK) Limited (IN) 2020-03-03 US disclosed
US-20170035765-A1 METHOD OF TREATING PULMONARY ARTERIAL HYPERTENSION Cipla (UK) Limited (IN) 2017-02-09 US disclosed
WO-2016199170-A2 PALIPERIDONE PALMITATE PARTICLES AND COMPOSITIONS THEREOF CIPLA LIMITED (IN) 2016-12-15 WO disclosed
EP-2235009-B1 SYNTHESIS OF PALIPERIDONE SYNTHON BV (NL) 2013-10-30 EP disclosed
EP-0368388-A2 3-Piperidinyl-1,2-benzisoxazoles JANSSEN PHARMACEUTICA N.V. (BE) 1990-05-16 EP disclosed
EP-0368388-A2 3-Piperidinyl-1,2-benzisoxazoles JANSSEN PHARMACEUTICA N.V. (BE) 1990-05-16 EP disclosed
EP-0357134-A1 Antihypertensive 3-piperidinyl-indazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-03-07 EP disclosed
EP-0353821-A2 Antipsychotic 3-piperazinyl-benzazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-02-07 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

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-10576083-B2 Method of treating pulmonary arterial hypertension PAH, PDE3B, NPPA HTR2A 553/4885HTR2C 975/4885KCNH2 148/4885
US-20200155557-A1 METHOD OF TREATING PULMONARY ARTERIAL HYPERTENSION PAH, PDE3B, NPPA HTR2A 553/4885HTR2C 975/4885KCNH2 148/4885
US-20170035765-A1 METHOD OF TREATING PULMONARY ARTERIAL HYPERTENSION PAH, PDE3B, NPPA HTR2A 553/4885HTR2C 975/4885KCNH2 148/4885
US-11040041-B2 Method of treating pulmonary arterial hypertension PAH, PDE3B, NPPA HTR2A 553/4885HTR2C 975/4885KCNH2 148/4885

“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.