SCHEMBL1822876

SCHEMBL1822876

Fc1cc(F)cc(C2=CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
NAMPT P43490 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD4 P21917 3/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HDAC4 P56524 1/20 0.39
DRD2 P14416 3/20 0.39
IKZF1 Q13422 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2A P28223 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1824893 0.82 SIGMAR1 (0.40) MEN1KMT2AMAPK1SIGMAR1NAMPT
Hydrochloric Acid SCHEMBL10354317 0.82 DRD2 (0.49) HTR1ASIGMAR1NAMPTDRD4LMNA
SCHEMBL6043125 0.77 MEN1 (0.58) HTR1AMEN1KMT2AMAPK1NAMPT
SCHEMBL10827328 0.77 DRD4 (0.49) HTR1ASIGMAR1NAMPTDRD4HDAC4
SCHEMBL10827696 0.77 DRD2 (0.49) SIGMAR1NAMPTDRD2DRD3
SCHEMBL378884 0.76 CYP11B2 (0.43)
SCHEMBL2395917 0.76 MAPK1 (0.69) HTR1AMEN1KMT2AMAPK1SIGMAR1
Hydrochloric Acid SCHEMBL11020008 0.76 DRD4 (0.48) HTR1ASIGMAR1NAMPTDRD4HDAC4
Hydrochloric Acid SCHEMBL11019494 0.75 DRD2 (0.48) SIGMAR1NAMPTDRD2DRD3
SCHEMBL6683584 0.75 MEN1 (0.53) HTR1AMEN1KMT2AMAPK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155669-B1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-05-04 EP disclosed
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 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 (1 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-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 HTR1A 82/4885MEN1 2703/4885KMT2A 3232/4885

“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.