SCHEMBL2498088

SCHEMBL2498088

Brc1ccc2c(c1)CCC21CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.45
ASIC3 Q9UHC3 1/20 0.45
CRBN Q96SW2 1/20 0.38
KDM1A O60341 1/20 0.37
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 1/20 0.36
BACE1 P56817 1/20 0.35
PARP10 Q53GL7 2/20 0.35
PARP1 P09874 2/20 0.35
TDP2 O95551 1/20 0.35
PARP11 Q9NR21 1/20 0.35
SLC18A3 Q16572 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA2A P08913 1/20 0.32

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
SCHEMBL2492636 0.91 PNMT (0.42) PNMTASIC3CRBNKDM1AHTR2A
SCHEMBL29067338 0.90 PNMT (0.47) PNMTASIC3KDM1AHTR2AHTR2C
SCHEMBL2494957 0.89 KDM1A (0.45) PNMTASIC3CRBNKDM1AHTR2A
SCHEMBL5635261 0.81 KDM1A (0.44) PNMTASIC3KDM1ABACE1PARP10
SCHEMBL2499345 0.81 HTR2C (0.47) PNMTCRBNKDM1AHTR2AHTR2C
SCHEMBL12190383 0.81 HTR2A (0.39) CRBNKDM1AHTR2AHTR2CHTR2B
SCHEMBL2501672 0.79 BACE1 (0.45) PNMTASIC3CRBNKDM1AHTR2A
Hydrochloric Acid SCHEMBL2493252 0.79 HTR2C (0.46) PNMTCRBNKDM1AHTR2AHTR2C
Hydrochloric Acid SCHEMBL2497611 0.79 HTR2A (0.38) CRBNKDM1AHTR2AHTR2CHTR2B
SCHEMBL22993309 0.78 PNMT (0.49) PNMTASIC3KDM1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024179529-A1 SUBSTITUTED TRICYCLIC DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海海雁医药科技有限公司 2024-09-06 WO disclosed
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 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-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS NR3C2, DRD3, TACR1 PNMT 3044/4885ASIC3 1060/4885CRBN 907/4885

“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.