SCHEMBL9602546

SCHEMBL9602546

NCCCCN1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.67
HRH3 Q9Y5N1 2/20 0.63
HTR3A P46098 7/20 0.60
HTR3E A5X5Y0 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HTR3B O95264 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
THPO P40225 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
HRH4 Q9H3N8 1/20 0.60
DRD2 P14416 1/20 0.56
DRD3 P35462 1/20 0.56
HTR7 P34969 1/20 0.55
HRH1 P35367 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
DRD4 P21917 1/20 0.53

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
SCHEMBL3679755 0.96 HTR1A (0.65) HTR1AHRH3HTR3AHTR3EKDM4E
SCHEMBL647772 0.84 HTR1A (0.65) HTR1AHRH3HTR3AHTR3EKDM4E
SCHEMBL11757164 0.81 HRH3 (0.68) HTR1AHRH3HTR3AHTR3EKDM4E
SCHEMBL17005644 0.80 HRH3 (0.48) HTR1AHRH3HTR3ADRD2DRD3
SCHEMBL3675333 0.79 HTR1A (0.58) HTR1AHRH3HTR3AHTR3EKDM4E
SCHEMBL3676077 0.78 HTR1A (0.95) HTR1AHRH3HTR3ADRD2HTR7
SCHEMBL8896996 0.78 HRH3 (0.72) HTR1AHRH3HTR3AHTR3EKDM4E
SCHEMBL3970431 0.78 HRH3 (1.00) HTR1AHRH3HTR3AHTR3EKDM4E
SCHEMBL9600934 0.77 HTR1A (0.69) HTR1AHRH3HTR3ADRD2DRD3
SCHEMBL7993335 0.77 HTR1A (0.62) HTR1AHRH3HTR3ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 US disclosed
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP disclosed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 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 (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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A HTR1A 24/4885HRH3 89/4885HTR3A 17/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R HTR1A 82/4885HRH3 358/4885HTR3A 37/4885

“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.