SCHEMBL4101709

SCHEMBL4101709

Oc1ccc(Cl)cc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.59
HTR3E A5X5Y0 4/20 0.59
HTR3B O95264 4/20 0.59
HTR3D Q70Z44 4/20 0.59
HTR3C Q8WXA8 4/20 0.59
ADRB1 P08588 5/20 0.52
SIGMAR1 Q99720 3/20 0.52
ADRB2 P07550 1/20 0.51
NCF1 P14598 1/20 0.51
HTR2A P28223 4/20 0.50
HTR1A P08908 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
HTR2B P41595 3/20 0.50
HTR2C P28335 2/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
TP53 P04637 1/20 0.50

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
Bromide SCHEMBL27463561 0.98 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
Bromide SCHEMBL6772862 0.98 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL5374136 0.86 HTR3A (0.82) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL28570167 0.83 ALDH1A1 (0.53) HTTNR1H4
SCHEMBL23216866 0.81 ADRB1 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4328782 0.81 ADRB1 (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11759243 0.81 HTR5A (0.57) ADRB1SIGMAR1HTR2AHTR1AHTR7
SCHEMBL30511075 0.81 ADRB1 (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6195611 0.80 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL3649806 0.80 ADRB1 (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN disclosed
US-6680319-B2 TREATMENT OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA, TREATMENT OF LOWER URINARY TRACT SYMPTOMS RECORDATI S.A. (CH) 2004-01-20 US disclosed
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
EP-0784055-B1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
US-20020161012-A1 Isoxazolecarboxamide derivatives RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY 2002-10-31 US disclosed
EP-1226131-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-31 EP disclosed
US-6365591-B1 FOR THERAPY OF OBSTRUCTIVE SYNDROMES OF THE LOWER URINARY TRACT, INCLUDING BENIGN PROSTATIC HYPERPLASIA (BPH), AND IN THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS (LUTS) AND NEUROGENIC LOWER URINARY TRACT DYSFUNCTION (NLUTD) RECORDATI, S.A., CHEMICAL AND PHARMACUETICALS COMPANY (CH) 2002-04-02 US disclosed
CN-1071754-C Pyrimidinylpyrazole derivative DAIICHI SEIYAKU CO (JP) 2001-09-26 CN disclosed
WO-2001029015-A2 ISOXAZOLECARBOXAMIDE DERIVATIVES AS ALPHA1-ADRENERGIC RECEPTOR ANTAGONISTS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2001-04-26 WO disclosed
US-5852019-A Pyrimidinylpyrazole derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-22 US disclosed
US-5789412-A 5-HYDROXYTRYPTAMINE (SEROTONIN) RECEPTOR ANTAGONISTS FOR THE CURATIVE OR PREVENTIVE TREATMENT OF PAIN, DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS, ANXIETY OR PANIC ATTACK, OR CANCER PIERRE FABRE MEDICAMENT (FR) 1998-08-04 US disclosed
US-5783593-A FUNGICIDE; ANTICHOLESTEROL AGENT ABBOTT LABORATORIES (US) 1998-07-21 US disclosed
CN-1166833-A pyrimidinyl pyrazole derivatives DAIICHI SEIYAKU CO (JP) 1997-12-03 CN disclosed
EP-0784055-A1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP disclosed
EP-0773937-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1997-05-21 EP disclosed
WO-1996002525-A1 NOVEL ARYL PIPERAZINE-DERIVED PIPERAZIDE DERIVATIVES, METHODS FOR THEIR PREPARATION, THEIR USE AS DRUGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME PIERRE FABRE MEDICAMENT (FR) 1996-02-01 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 (2 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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH HTR3A 316/4885HTR3E 694/4885HTR3B 925/4885
US-20020161012-A1 Isoxazolecarboxamide derivatives ADRA1D, NMUR1, NMUR2 HTR3A 258/4885HTR3E 1137/4885HTR3B 723/4885

“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.