SCHEMBL6100893

SCHEMBL6100893

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.58
GRM5 P41594 2/20 0.43
KDM5A P29375 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACKR3 P25106 1/20 0.38
P2RX7 Q99572 1/20 0.38
HTR3A P46098 1/20 0.36

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
SCHEMBL6100887 1.00 CHRNA7 (0.58) CHRNA7GRM5KDM5AALDH1A1TSHR
SCHEMBL6099241 0.93 CHRNA7 (0.49) CHRNA7GRM5KDM5AALDH1A1TSHR
SCHEMBL6101709 0.85 CHRNA7 (0.64) CHRNA7GRM5TSHRUSP30ACKR3
SCHEMBL6633597 0.85 CHRNA7 (0.64) CHRNA7GRM5TSHRUSP30ACKR3
SCHEMBL6101711 0.85 CHRNA7 (0.64) CHRNA7GRM5TSHRUSP30ACKR3
SCHEMBL6099413 0.84 CHRNA7 (0.61) CHRNA7GRM5KDM5AUSP30KMT2A
SCHEMBL6099407 0.84 CHRNA7 (0.61) CHRNA7GRM5KDM5AUSP30KMT2A
SCHEMBL4795803 0.78 CHRNA7 (0.75) CHRNA7MEN1KMT2A
SCHEMBL6101015 0.78 CHRNA7 (0.56) CHRNA7USP30MEN1KMT2AACKR3
SCHEMBL6101020 0.78 CHRNA7 (0.56) CHRNA7USP30MEN1KMT2AACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US claimed
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 CHRNA7 1836/4885GRM5 1965/4885KDM5A 423/4885

“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.