SCHEMBL3770682

SCHEMBL3770682

CCN1CC2C(CNCc3ccc(Cl)cc3Cl)C2C1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
P2RX7 Q99572 13/20 0.46
HTT P42858 1/20 0.45
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CYP2A13 Q16696 1/20 0.40

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
SCHEMBL3782176 0.86 TSHR (0.51) TSHRKDM4ETDP1P2RX7HTT
SCHEMBL713075 0.79 CXCR4 (0.50) P2RX7
SCHEMBL15967384 0.78 CACNA1H (0.41) TSHRP2RX7
SCHEMBL5509008 0.78 TSHR (0.47) TSHRTDP1P2RX7HTT
SCHEMBL3783254 0.77 PRMT5 (0.49) TSHRP2RX7
SCHEMBL3770883 0.77 PRMT5 (0.38) P2RX7
Hydrochloric Acid SCHEMBL711026 0.77 CACNA1H (0.40) TSHR
SCHEMBL3770678 0.76 P2RX7 (0.60) TDP1P2RX7
SCHEMBL2566526 0.71 HTT (0.62) TSHRHTTPOLBBCHEACHE
SCHEMBL14656662 0.71 HTT (0.65) TSHRHTTPOLBCYP2A13

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 TSHR 1987/4885KDM4E 3142/4885TDP1 1773/4885

“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.