SCHEMBL3414770

SCHEMBL3414770

CC(=Cc1ccc(F)cc1)CN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 4/20 0.42
SIGMAR1 Q99720 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TACR1 P25103 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 2/20 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
SCHEMBL3414767 1.00 USP2 (0.48) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL3416005 0.84 TSHR (0.66) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL3416007 0.84 TSHR (0.66) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL13499557 0.83 TSHR (0.52) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL9564607 0.72 LMNA (0.48) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL24224624 0.72 MEN1 (0.60) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL10988524 0.71 TRPA1 (0.47) MEN1KMT2ASIGMAR1ALDH1A1TRPA1
SCHEMBL10988520 0.71 TRPA1 (0.47) MEN1KMT2ASIGMAR1ALDH1A1TRPA1
SCHEMBL9564609 0.71 USP2 (0.43) USP2ALOX15TSHRSMN1; SMN2MEN1
SCHEMBL20038018 0.70 MAPT (0.46) TSHRSMN1; SMN2MEN1KMT2AKDM4E

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
EP-1554286-B1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA NV (BE) 2010-01-27 EP disclosed
US-7501418-B2 e.g. 3-[4-(2-Methyl-3-phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-2,5-dioxa-1,7-diaza-dicyclopenta[a,g]naphthalene; serotonine (5-HT) reuptake inhibitor, alpha 2-adrenoceptor antagonist; antidepressant, anxiolytic agent; Parkinson's disease, eating disorders, psychosis, obesity JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-10 US disclosed
US-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants JANSSEN-CILAG S.A. (ES) 2006-06-01 US disclosed
EP-1554286-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-20 EP disclosed
WO-2004018483-A1 FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-04 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 (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-20060116378-A1 Fused heterocyclic isoxazoline derivatives and their use as anti-derpressants PARK7, HTR7, TPH2 USP2 3720/4885ALOX15 419/4885TSHR 437/4885

“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.