SCHEMBL11955481

SCHEMBL11955481

CCCCOc1cc(F)c(N2CCN(C)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HPGD P15428 3/20 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
SCHEMBL26473495 0.79 ALDH1A1 (0.38) DRD3DRD2ALDH1A1MAPTCYP1A2
SCHEMBL24398149 0.79 ALDH1A1 (0.40) DRD3DRD2ALDH1A1MAPTCYP1A2
SCHEMBL24398221 0.78 ALDH1A1 (0.39) DRD3DRD2ALDH1A1MAPTCYP1A2
SCHEMBL26472956 0.78 ALDH1A1 (0.43) DRD3DRD2ALDH1A1MAPTCYP1A2
SCHEMBL2493210 0.77 HTR6 (0.51) DRD3DRD2ALDH1A1MEN1KMT2A
SCHEMBL26472868 0.77 MAPT (0.42) DRD3ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL9332845 0.75 DRD2 (0.67) DRD3DRD2ALDH1A1GAAHTR1A
SCHEMBL2765904 0.74 HTR1A (0.60) DRD3DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL14922280 0.74 MAPT (0.53) DRD3DRD2ALDH1A1MAPTCYP1A2
SCHEMBL17432216 0.74 GAA (0.46) DRD3DRD2ALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 DRD3 2999/4885DRD2 1933/4885ALDH1A1 3017/4885

“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.