SCHEMBL19902284

SCHEMBL19902284

N[C@H]1CC[C@H](c2n[nH]c(=O)c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.45
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 4/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
AR P10275 2/20 0.40
WDR77 Q9BQA1 1/20 0.39
LMNA P02545 2/20 0.39
ENPP1 P22413 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL19902331 1.00 PRMT5 (0.45) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL19902312 1.00 PRMT5 (0.45) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL1789261 0.92 ATM (0.50) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL1786994 0.85 PRMT5 (0.48) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL1786583 0.85 ATM (0.47) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL19902592 0.84 ATM (0.44) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL1790181 0.84 PRMT5 (0.47) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL12845934 0.83 ATM (0.45) PRMT5ATMNPSR1PARP1POLB
SCHEMBL19902393 0.81 ROCK2 (0.41) PRMT5ATMNPSR1KDM4EPARP1
SCHEMBL17437951 0.81 ROCK2 (0.48) PRMT5ATMNPSR1KDM4EPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PRMT5 1304/4885ATM 1521/4885NPSR1 2874/4885

“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.