Sugi Predict

Sugi Predict / Compounds / SCHEMBL3962691

SCHEMBL3962691

SCHEMBL3962691

CCC(CC)c1cc(C)nn2c(-c3c(C)oc4c(C(=O)OC)cccc34)c(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.43
▸ CRHR2 Q13324 1/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PLIN1 O60240 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PLIN5 Q00G26 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ABHD5 Q8WTS1 1/20 0.34
▸ SMPD3 Q9NY59 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.33

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
SCHEMBL3965372 0.90 CRHR1 (0.44) CRHR1CRHR2SMPD3PI4KB
SCHEMBL3962696 0.90 CRHR1 (0.43) CRHR1CRHR2KMT2AHPGDLMNA
SCHEMBL3966304 0.89 CRHR1 (0.40) CRHR1CRHR2KMT2AKDM4ELMNA
SCHEMBL3966306 0.89 CRHR1 (0.41) CRHR1CRHR2SMPD3
SCHEMBL3966241 0.83 CRHR1 (0.44) CRHR1CRHR2SMPD3
SCHEMBL3967630 0.83 CRHR1 (0.44) CRHR1CRHR2SMPD3
SCHEMBL3966232 0.83 CRHR1 (0.44) CRHR1CRHR2SMPD3
SCHEMBL3962421 0.83 CRHR1 (0.46) CRHR1CRHR2
SCHEMBL3965276 0.83 CRHR1 (0.46) CRHR1CRHR2
SCHEMBL3965873 0.83 CRHR1 (0.46) CRHR1CRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 — — US claimed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 — — US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 — — US disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 — — US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 — — US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 — — US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 — — US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 — — EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 — — 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 CRHR1 1/4885CRHR2 3/4885NPC1 905/4885

“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.