SCHEMBL21115256

SCHEMBL21115256

C#Cc1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.43
SLC18A3 Q16572 5/20 0.43
AKR1C3 P42330 1/20 0.42
GRIN2B Q13224 2/20 0.41
DRD2 P14416 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
DHFR P00374 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5254210 0.84 KDM4E (0.51) IP6K1SIGMAR1
SCHEMBL7446491 0.82 MBTD1 (0.55) SLC18A3GRIN2BDRD2DHFRMBTD1
SCHEMBL241159 0.78 DHFR (0.50) IP6K1SLC18A3GRIN2BDRD2MMP2
SCHEMBL5546675 0.78 ME3 (0.54) SLC18A3MMP2MMP9MMP13CYP2D6
SCHEMBL31612521 0.78 MEN1 (0.61) SLC18A3DRD2CYP1A2CYP2C9SIGMAR1
SCHEMBL8363020 0.78 LMNA (0.49) IP6K1SLC18A3GRIN2BDRD2SMN1; SMN2
SCHEMBL939776 0.78 SLC18A3 (0.52) IP6K1SLC18A3GRIN2BDRD2MMP2
SCHEMBL19995307 0.78 AKR1C3 (0.51) AKR1C3DRD2MBTD1L3MBTL3L3MBTL1
SCHEMBL20346980 0.77 FAAH (0.49) MBTD1L3MBTL3L3MBTL1SIGMAR1
SCHEMBL6132832 0.77 SIGMAR1 (0.63) IP6K1SLC18A3TSHRSIGMAR1SMN1; SMN2

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
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT IP6K1 2371/4885SLC18A3 18/4885AKR1C3 2463/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT IP6K1 2490/4885SLC18A3 18/4885AKR1C3 2721/4885

“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.