SCHEMBL3783233

SCHEMBL3783233

O=C(NCC1C2CNCC21)c1cccc(CC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.39
HTR2C P28335 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.38
ABAT P80404 1/20 0.38
ENPP2 Q13822 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM3 P20309 1/20 0.38
ABL1 P00519 1/20 0.38
HDAC3 O15379 1/20 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
SCHEMBL3778064 0.85 CACNA1H (0.43) HDAC6LMNAALDH1A1POLBHTR2C
SCHEMBL5513102 0.82 POLB (0.56) LMNAALDH1A1POLBCHRM3
Hydrochloric Acid SCHEMBL709535 0.81 POLB (0.55) LMNAALDH1A1POLBCHRM3
SCHEMBL5506383 0.80 NAMPT (0.51) HDAC6HTR2CHPGDCHRM3HDAC3
SCHEMBL3765706 0.80 HDAC6 (0.43) HDAC6ALDH1A1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL709982 0.79 NAMPT (0.50) HDAC6HTR2CCHRM3HDAC3HDAC1
SCHEMBL15967359 0.78 OPRM1 (0.54) OPRM1
SCHEMBL3783236 0.77 ATM (0.37) HTR2CHTR2AENPP2
SCHEMBL708595 0.77 MEN1 (0.52) ALDH1A1MEN1KMT2AHPGDHDAC1
Hydrochloric Acid SCHEMBL708457 0.77 OPRM1 (0.53) POLBOPRM1

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-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
EP-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP disclosed
US-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 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 (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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 HDAC6 2873/4885LMNA 4344/4885ALDH1A1 2267/4885

“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.