SCHEMBL25564458

SCHEMBL25564458

CC(C)N1CCC[C@H](N)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.33
PARP1 P09874 1/20 0.32
CYP2D6 P10635 2/20 0.31
KCNH2 Q12809 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
CHRNA7 P36544 1/20 0.30
KDM1A O60341 1/20 0.30
KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL22253854 1.00 HRH3 (0.33) HRH3PARP1CYP2D6KCNH2GNAI3
SCHEMBL12209129 1.00 HRH3 (0.33) HRH3PARP1CYP2D6KCNH2GNAI3
SCHEMBL22752741 0.93 HRH3 (0.34) HRH3CYP2D6KCNH2
SCHEMBL22314113 0.93 HRH3 (0.34) HRH3CYP2D6KCNH2
SCHEMBL222544 0.91 CHRNA7 (0.34) HRH3CYP2D6KCNH2GNAI3GNAO1
Hydrochloric Acid SCHEMBL222616 0.88 GNAI3 (0.38) HRH3CYP2D6KCNH2GNAI3GNAO1
Hydrochloric Acid SCHEMBL1456033 0.88 GNAI3 (0.38) HRH3CYP2D6KCNH2GNAI3GNAO1
Hydrochloric Acid SCHEMBL3410008 0.86 HRH3 (0.33) HRH3CYP2D6KCNH2GNAI3GNAO1
SCHEMBL2424015 0.82 DRD2 (0.36) PARP1KCNH2DRD2DRD3KDM2B
SCHEMBL2424503 0.82 DRD2 (0.36) PARP1KCNH2DRD2DRD3KDM2B

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HRH3 2165/4885PARP1 468/4885CYP2D6 1521/4885

“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.