SCHEMBL870124

SCHEMBL870124

Cc1cccc2nc(C(=O)N[C@H]3CC[C@@H](n4c(=O)c5cc(F)cnc5n(-c5cccc(I)c5)c4=O)CC3)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PDE4B Q07343 11/20 0.45
GPR55 Q9Y2T6 3/20 0.37
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 3/20 0.36
HTR3A P46098 2/20 0.34
ABCB1 P08183 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
TSHR P16473 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
SCHEMBL870125 1.00 NPC1 (0.45) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL16104306 1.00 NPC1 (0.45) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL870459 0.87 PDE4B (0.49) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL870458 0.87 PDE4B (0.49) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL8183839 0.87 PDE4B (0.49) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL871175 0.87 PDE4B (0.46) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL871176 0.87 PDE4B (0.46) NPC1RAB9APDE4BGPR55CNR1
Hydrochloric Acid SCHEMBL3700634 0.86 PDE4B (0.46) NPC1RAB9APDE4BGPR55CNR1
Hydrochloric Acid SCHEMBL3690679 0.86 PDE4B (0.46) NPC1RAB9APDE4BGPR55CNR1
SCHEMBL870152 0.86 PDE4B (0.41) PDE4BCYP2C19PDE4DHTR3AABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B NPC1 2462/4885RAB9A 1736/4885PDE4B 2/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B NPC1 2462/4885RAB9A 1736/4885PDE4B 2/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A NPC1 3510/4885RAB9A 1730/4885PDE4B 2/4885

“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.