SCHEMBL2928093

SCHEMBL2928093

FC(F)(F)c1cc(Cl)cc(N2CCNCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.77
CHRM2 P08172 1/20 0.68
CHRM4 P08173 1/20 0.68
CHRM1 P11229 1/20 0.68
CHRM3 P20309 1/20 0.68
HTR3E A5X5Y0 3/20 0.59
HTR3B O95264 3/20 0.59
HTR3A P46098 3/20 0.59
HTR3D Q70Z44 3/20 0.59
HTR3C Q8WXA8 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
HTR2C P28335 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTR1D P28221 1/20 0.59
THRB P10828 2/20 0.58
MAPT P10636 1/20 0.58
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 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
SCHEMBL1914919 0.88 ADRB1 (1.00) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL30955834 0.86 ADRB1 (0.96) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL24123744 0.83 ADRB1 (0.68) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL254693 0.82 ADRB1 (1.00) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL2925802 0.81 ADRB1 (0.80) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL10104274 0.80 ADRB1 (0.77) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL5340202 0.80 ADRB1 (0.77) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL18245017 0.80 ADRB1 (0.77) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3308233 0.80 ADRB1 (0.77) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL2273336 0.80 ADRB1 (0.77) ADRB1CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118843616-A Benzamide compounds for the treatment of bacterial infections 豪夫迈·罗氏有限公司 2024-10-25 CN disclosed
US-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2024-04-18 US disclosed
WO-2023166103-A1 BENZAMIDE COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO disclosed
WO-2021072369-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2021-04-15 WO disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
US-RE41315-E1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DE) 2010-05-04 US disclosed
EP-1419773-B1 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-06-04 EP disclosed
US-6924374-B2 Central nervous system disorders; psychological disorders A. CARLSSON RESEARCH AB (SE) 2005-08-02 US disclosed
EP-1419773-A2 4-Phenylpiperidine derivatives as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-05-19 EP disclosed
US-20030004169-A1 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2003-01-02 US disclosed
EP-1240143-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
WO-2001046146-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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 (3 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-20240124400-A1 LPXH TARGETING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF MAKING AND USING THE SAME CFH, LPAR3, CBR3 ADRB1 2441/4885CHRM2 3843/4885CHRM4 1910/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ADRB1 1388/4885CHRM2 2167/4885CHRM4 2017/4885
US-20030004169-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 ADRB1 100/4885CHRM2 50/4885CHRM4 51/4885

“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.