SCHEMBL22473262

SCHEMBL22473262

O=C(OCc1ccccc1)N1CCC2(CC2)C[C@@H]1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
TMEM97 Q5BJF2 9/20 0.46
SIGMAR1 Q99720 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PARP1 P09874 1/20 0.44
KDM1A O60341 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44

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
SCHEMBL26984155 1.00 ADAM10 (0.47) ADAM10MMP2MMP3MMP9TMEM97
SCHEMBL26984159 0.86 KDM1A (0.48) ADAM10MMP2MMP3MMP9TMEM97
SCHEMBL28680130 0.86 KDM1A (0.48) ADAM10MMP2MMP3MMP9TMEM97
SCHEMBL26984268 0.85 SIGMAR1 (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL27129689 0.85 SIGMAR1 (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL3736894 0.84 TMEM97 (0.44) ADAM10MMP2MMP3MMP9TMEM97
SCHEMBL27128343 0.84 KDM1A (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL26984154 0.84 KDM1A (0.47) TMEM97SIGMAR1SMN1; SMN2NPC1RAB9A
SCHEMBL31482576 0.82 SMN1; SMN2 (0.46) ADAM10MMP2MMP3MMP9SMN1; SMN2
SCHEMBL6161302 0.82 PDK1 (0.44) ADAM10MMP2MMP3MMP9TMEM97

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
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB ADAM10 2491/4885MMP2 1989/4885MMP3 1520/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB ADAM10 2491/4885MMP2 1989/4885MMP3 1520/4885

“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.