SCHEMBL6216166

SCHEMBL6216166

O=C(OCC(Cl)(Cl)Cl)N1C2C=C(c3ccc(Cl)cc3)CC1CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KCNK3 O14649 3/20 0.33
KCNK9 Q9NPC2 3/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR3 P49682 1/20 0.32
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6991525 0.90 SIGMAR1 (0.36) JAK2JAK1CXCR3
SCHEMBL6217469 0.79 SLC6A2 (0.38) BRD4ALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL14081576 0.75 SLC6A2 (0.46) ALDH1A1LMNAMAPT
SCHEMBL15747861 0.71 HTR2C (0.43) CYP2C19
SCHEMBL24223887 0.71 CHRM2 (0.42) ALDH1A1MAPT
SCHEMBL22471536 0.71 CHRM2 (0.42) ALDH1A1MAPT
SCHEMBL17548160 0.71 KCNK3 (0.43) KCNK3KCNK9
SCHEMBL8122326 0.70 CHRM2 (0.38) ALDH1A1MEN1POLBKMT2A
SCHEMBL3034148 0.70 SLC6A2 (0.46)
SCHEMBL7940656 0.70 CTSS (0.36) CYP2D6CYP2C19TSHRCYP1A2CYP2C9

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-1178048-B1 Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-6552015-B2 Inhibition of serotonin reuptake; especially 2-(azabicycloalkyl)alkylenyl)isoquinolin-3-one compounds PFIZER INC. 2003-04-22 US disclosed
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof PFIZER PRODUCTS INC. 2002-05-02 US disclosed
EP-1178048-A1 Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists Pfizer Products Inc. (US) 2002-02-06 EP 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-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof HTR5A, HTR1A, HTR2A BRD4 3989/4885JAK2 850/4885JAK1 748/4885

“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.