SCHEMBL2780977

SCHEMBL2780977

CCN1CCN(c2cccc(F)c2N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 3/20 0.48
RAD52 P43351 3/20 0.48
MAPT P10636 2/20 0.48
GFER P55789 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
CHRNA7 P36544 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL2782106 0.88 DRD2 (0.56) KDM4EALDH1A1POLBTSHRDRD2
SCHEMBL2783743 0.83 DRD3 (0.53) KDM4EALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL23123968 0.83 GAA (0.50) KDM4EPOLBGAARAD52MAPT
SCHEMBL8044642 0.83 KDM4E (0.65) KDM4EALDH1A1POLBTSHRGAA
SCHEMBL2782981 0.82 ALDH1A1 (0.51) KDM4EALDH1A1POLBTSHRGAA
SCHEMBL27664407 0.81 KDM4E (0.55) KDM4EALDH1A1POLBTSHRGAA
SCHEMBL2803040 0.81 SMN1; SMN2 (0.47) KDM4EALDH1A1POLBTSHRMAPT
SCHEMBL2784856 0.81 DRD2 (0.55) KDM4EALDH1A1GAARAD52MAPT
SCHEMBL2784944 0.81 ALDH1A1 (0.50) KDM4EALDH1A1POLBTSHRGAA
SCHEMBL2784258 0.81 DRD2 (0.56) KDM4EALDH1A1POLBTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US claimed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP claimed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US claimed
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US disclosed
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 US disclosed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP disclosed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 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-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 KDM4E 1510/4885ALDH1A1 1194/4885POLB 4493/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 KDM4E 1739/4885ALDH1A1 1189/4885POLB 4590/4885

“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.