SCHEMBL1824893

SCHEMBL1824893

Fc1ccc(C2=CCN(Cc3ccccc3)C2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC4 P56524 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 0.38
DRD2 P14416 1/20 0.38
MAPK1 P28482 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
SCHEMBL6924640 0.86 MEN1 (0.55) SIGMAR1MEN1KMT2AHDAC4NAMPT
SCHEMBL378884 0.84 CYP11B2 (0.43)
SCHEMBL1822876 0.82 HTR1A (0.46) SIGMAR1POLBMEN1KMT2AHDAC4
Hydrochloric Acid SCHEMBL10354317 0.80 DRD2 (0.49) SIGMAR1POLBHDAC4NAMPTHTT
SCHEMBL10827328 0.78 DRD4 (0.49) SIGMAR1HDAC4NAMPTHTTDRD4
SCHEMBL10827696 0.77 DRD2 (0.49) SIGMAR1NAMPTALDH1A1OPRM1DRD3
Hydrochloric Acid SCHEMBL11020008 0.77 DRD4 (0.48) SIGMAR1HDAC4NAMPTHTTDRD4
Hydrochloric Acid SCHEMBL11019494 0.76 DRD2 (0.48) SIGMAR1NAMPTALDH1A1OPRM1DRD3
SCHEMBL6683584 0.73 MEN1 (0.53) SIGMAR1MEN1KMT2AHDAC4NAMPT
SCHEMBL3093644 0.71 DRD4 (0.45) SIGMAR1POLBNAMPTALDH1A1DRD4

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 SIGMAR1 259/4885POLB 4564/4885MEN1 2703/4885

“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.