SCHEMBL6099488

SCHEMBL6099488

COc1ccnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.41
GRM5 P41594 1/20 0.40
KDR P35968 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
RIPK1 Q13546 1/20 0.37

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
SCHEMBL6100300 0.84 ABL1 (0.43) HTR4
SCHEMBL7114457 0.83 HPGDS (0.36) HTR4GRM5
SCHEMBL7114437 0.82 LOX (0.40) HTR4GRM5
SCHEMBL6100511 0.82 SLC6A2 (0.42) GRM5
SCHEMBL7121804 0.80 KDR (0.40) KDRRIPK1
SCHEMBL6101485 0.80 GRM5 (0.40) GRM5KDRPDE3BPDE3APYGL
SCHEMBL6098618 0.80 GRM5 (0.40) GRM5KDRPYGLPYGMRIPK1
SCHEMBL6101770 0.78 GRM5 (0.59) GRM5KDR
SCHEMBL7116456 0.78 EGLN1 (0.39) GRM5
SCHEMBL6098192 0.78 HTR4 (0.43) HTR4

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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HTR4 3671/4885GRM5 1965/4885KDR 2354/4885

“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.