SCHEMBL9918370

SCHEMBL9918370

CC(C)CC(c1ccccc1Cl)N1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.64
DPP4 P27487 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 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
SCHEMBL9923328 0.84 MC4R (0.72) MC4RDPP4SMN1; SMN2HTR1DHTR1B
SCHEMBL1160038 0.84 DPP4 (0.68) MC4RDPP4SMN1; SMN2HTR1DHTR1B
SCHEMBL19634040 0.71 MC4R (0.55) MC4RDPP4SMN1; SMN2TSHRKDM4E
SCHEMBL6788181 0.71 MAPT (0.50) MC4RTSHRALDH1A1MAPTHTT
SCHEMBL14438312 0.70 ADRB2 (0.56) MC4RDPP4SMN1; SMN2ALDH1A1
SCHEMBL13044372 0.70 GHSR (0.55) MC4RSMN1; SMN2TSHRHTR1DHTR1B
SCHEMBL14438308 0.70 ADRB2 (0.56) MC4RDPP4SMN1; SMN2ALDH1A1
SCHEMBL14438301 0.70 ADRB2 (0.56) MC4RDPP4SMN1; SMN2ALDH1A1
SCHEMBL3470666 0.69 DPP4 (0.73) MC4RDPP4SMN1; SMN2TSHRKDM4E
SCHEMBL8278787 0.69 DPP4 (0.73) MC4RDPP4SMN1; SMN2TSHRKDM4E

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 MC4R 2130/4885DPP4 2456/4885SMN1; SMN2 3917/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MC4R 1692/4885DPP4 3304/4885SMN1; SMN2 4199/4885

“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.