SCHEMBL6101770

SCHEMBL6101770

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.59
CRBN Q96SW2 1/20 0.49
SMYD3 Q9H7B4 1/20 0.47
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
AGTR1 P30556 1/20 0.42
OPRK1 P41145 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL6100666 0.83 GRM5 (0.41) GRM5
SCHEMBL6101273 0.81 SLC6A4 (0.42) ALDH1A1KMT2ATDP1
SCHEMBL5917815 0.80 CHRNA7 (0.48) GRM5SMYD3
Hydrochloric Acid SCHEMBL5231652 0.79 CHRNA7 (0.47) GRM5SMYD3
SCHEMBL7224345 0.79 CHRNA7 (0.60) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL7233431 0.79 GRM5 (0.37) GRM5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL374986 0.79 CHRNA7 (0.60) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL6099488 0.78 HTR4 (0.41) GRM5KDR
SCHEMBL6100511 0.78 SLC6A2 (0.42) GRM5SMYD3RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7231896 0.78 CHRNA7 (0.59) MAPTRAB9ANPC1SMN1; SMN2KDM4E

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 GRM5 1965/4885CRBN 1692/4885SMYD3 2213/4885

“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.