SCHEMBL5387804

SCHEMBL5387804

Brc1cccnc1C1=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 2/20 0.36
GRM5 P41594 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
F2RL1 P55085 1/20 0.34
FFAR2 O15552 3/20 0.34
CDC25B P30305 1/20 0.33

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
SCHEMBL28578746 0.95 JAK2 (0.41) PIM1PPARACYP1A2GRM5JAK2
SCHEMBL13450565 0.79 CYP2A6 (0.43) PIM1PPARACYP1A2GRM5JAK2
SCHEMBL5383451 0.75 TRIM24 (0.43) PIM1PPARACYP1A2GRM5JAK2
SCHEMBL8993495 0.75 PIM1 (0.37) PIM1PPARACYP1A2GRM5JAK2
SCHEMBL13439540 0.75 F2RL1 (0.40) PIM1PPARACYP1A2GRM5JAK2
SCHEMBL8993439 0.75 PIM1 (0.37) PIM1PPARACYP1A2GRM5JAK2
SCHEMBL3083160 0.74 JAK2 (0.44) PIM1CYP1A2GRM5JAK2JAK1
SCHEMBL10094713 0.74 CYP2A6 (0.42) PIM1CYP1A2GRM5JAK2JAK1
SCHEMBL7772699 0.73 CDC25B (0.46) CYP1A2TDP1CDC25B
SCHEMBL29666462 0.73 CDC25B (0.46) CYP1A2TDP1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235568-B2 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-06-26 US disclosed
US-7163957-B2 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-01-16 US disclosed
US-20060264471-A1 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derviatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2006-11-23 US disclosed
EP-1551821-B1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2006-05-17 EP disclosed
US-20060014827-A1 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2006-01-19 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-20060264471-A1 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derviatives and use thereof as medicines for treating schizophrenia CNR2, CNR1, DBH PIM1 2757/4885PPARA 1751/4885CYP1A2 89/4885
US-20060014827-A1 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia CHRNA3, CHRNB3, CNR2 PIM1 3563/4885PPARA 2406/4885CYP1A2 296/4885

“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.