SCHEMBL710575

SCHEMBL710575

CCCCCCCNCC1C2CN(CCC(F)(F)F)CC12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
GUSB P08236 2/20 0.33
EPHX1 P07099 2/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CACNA1H O95180 1/20 0.32

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
SCHEMBL712560 0.99 GNAI3 (0.38) GNAI3GNAO1GNAI1GUSBEPHX1
SCHEMBL708613 0.94 GNAI3 (0.33) GNAI3GNAO1GNAI1CACNA1H
SCHEMBL711458 0.76 CACNA1H (0.33) CACNA1H
SCHEMBL710574 0.75 GNAI3 (0.43) GNAI3GNAO1GNAI1EPHX1
SCHEMBL712559 0.73 FPR3 (0.43) GNAI3GNAO1GNAI1EPHX1
SCHEMBL3774934 0.68 SMN1; SMN2 (0.52) ALDH1A1
SCHEMBL15967265 0.67
SCHEMBL19780082 0.63 GUSB (0.53) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL10687034 0.62 TSHR (0.55) EPHX1ALDH1A1TSHR
SCHEMBL1515289 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124639-B2 Bicyclic [3.1.0] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. (US) 2012-02-28 US disclosed
US-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors PFIZER INC. 2010-12-23 US disclosed
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors PFIZER INC. 2006-10-12 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-20100324020-A1 Bicyclic [3.1.0] Heteroaryl Amides As Type 1 Glycine Transport Inhibitors SLC1A2, SLC1A1, SLC6A5 GNAI3 261/4885GNAO1 188/4885GNAI1 197/4885
US-20060229455-A1 Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors SLC1A2, SLC1A1, GLRA1 GNAI3 251/4885GNAO1 174/4885GNAI1 201/4885

“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.