SCHEMBL12480778

SCHEMBL12480778

FC(F)(F)Oc1cccc(NCC2CCCN2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
PIM1 P11309 1/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRND Q07001 1/20 0.41
TACR1 P25103 2/20 0.41
HTR6 P50406 1/20 0.41
CFD P00746 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2D6 P10635 1/20 0.39

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
SCHEMBL12480776 1.00 CHRNB4 (0.42) CHRNB4CHRNA3PIM1CHRNA1CHRNG
SCHEMBL13943579 0.82 LTA4H (0.51) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL3645647 0.82 LTA4H (0.51) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL3647070 0.82 LTA4H (0.51) CHRNB4CHRNA3CHRNA1CHRNGCHRNB1
SCHEMBL1241972 0.80 PIM1 (0.48) PIM1CFDCYP2D6KCNH2
SCHEMBL19234331 0.80 CHRNB4 (0.40) CHRNB4CHRNA3PIM1TACR1HTR6
SCHEMBL2542598 0.79 MAP3K8 (0.41) IDO1TDO2KCNH2
SCHEMBL2542828 0.79 MAP3K8 (0.41) IDO1TDO2KCNH2
SCHEMBL19232802 0.78 CTSL (0.44) TACR1CTSLCTSBCTSSCTSK
SCHEMBL19234330 0.78 HTR6 (0.48) HTR6CFDHTR2C

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
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 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-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 CHRNB4 2021/4885CHRNA3 3098/4885PIM1 2483/4885

“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.