SCHEMBL18250093

SCHEMBL18250093

CN(C)C1CCN(CCn2ccc(I)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ RET P07949 3/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ SRC P12931 3/20 0.39
▸ FRK P42685 3/20 0.39
▸ LCK P06239 2/20 0.39
▸ FYN P06241 2/20 0.39
▸ YES1 P07947 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ FGR P09769 2/20 0.39
▸ NPY1R P25929 6/20 0.37
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL28467308 0.80 DRD2 (0.40) DRD2HTR2AHRH1KCNH2HRH3
SCHEMBL28472871 0.79 KDM1A (0.41) IGF1RDRD2HTR2AHRH1KDM1A
SCHEMBL28462812 0.77 KDM1A (0.47) DRD2HTR2AHRH1L3MBTL3HRH3
SCHEMBL6266353 0.70 KDM1A (0.43) DRD2HTR2AHRH1FYNCYP3A4
SCHEMBL26234384 0.67 — —
SCHEMBL22823535 0.67 NPY1R (0.38) HRH1RETABL1SRCFRK
SCHEMBL20255406 0.66 DRD2 (0.45) DRD2HTR2ACYP3A4KCNH2HRH3
SCHEMBL10223659 0.65 DRD2 (0.44) DRD2NPY1RNOS3NOS1NOS2
SCHEMBL25332567 0.64 NPC1 (0.32) —
SCHEMBL15956482 0.63 NPY1R (0.43) NPY1RL3MBTL3CYP3A4CYP2C9KCNH2

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-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 — — US disclosed
US-20180127422-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-10 — — US disclosed
EP-3298015-A1 COMPOUNDS The University Court of the University of Edinburgh (GB) 2018-03-28 — — EP disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — WO disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — 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 (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-20180127422-A1 COMPOUNDS CBR3, OR10J3, CBR1 IGF1R 1559/4885DRD2 1416/4885HTR2A 2684/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 IGF1R 1704/4885DRD2 1612/4885HTR2A 2810/4885

“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.

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