SCHEMBL9920168

SCHEMBL9920168

COc1ccccc1C(CC(C)C)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 3/20 0.47
SMAD3 P84022 2/20 0.47
MC4R P32245 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DPP4 P27487 1/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
CCR3 P51677 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9923038 0.85 MC4R (0.52) P4HBSMAD3MC4RMEN1KMT2A
SCHEMBL9918375 0.85 TACR1 (0.50) MC4RMEN1KMT2AALDH1A1KDM4E
SCHEMBL1160282 0.84 DPP4 (0.67) P4HBSMAD3MC4RMEN1KMT2A
SCHEMBL12875827 0.83 MC4R (0.50) P4HBSMAD3MC4RMEN1KMT2A
SCHEMBL13553401 0.80 P4HB (0.52) P4HBSMAD3MEN1KMT2AALDH1A1
SCHEMBL11885444 0.78 P4HB (0.50) P4HBSMAD3MEN1KMT2AALDH1A1
SCHEMBL13653663 0.77 P4HB (0.52) P4HBSMAD3MEN1KMT2ADPP4
SCHEMBL19976621 0.72 P2RX7 (0.50) P4HBALDH1A1KDM4ETSHRCYP2D6
SCHEMBL19368165 0.71 CHRM2 (0.47) DPP4ALDH1A1TSHRCYP3A4CYP2C9
SCHEMBL17029838 0.71 MC4R (0.56) MC4RMEN1KMT2AALDH1A1KDM4E

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 P4HB 1154/4885SMAD3 1627/4885MC4R 2130/4885

“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.