SCHEMBL1229480

SCHEMBL1229480

O=C(O)n1cc(CCl)c2c(F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.39
RORC P51449 8/20 0.36
CYP3A4 P08684 3/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC5A2 P31639 1/20 0.34
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
ICMT O60725 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOD2 Q9HC29 1/20 0.33
BCHE P06276 1/20 0.33
RARG P13631 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL1228227 0.86 CHRM1 (0.37) CHRM1RORCCYP3A4CES2CES1
SCHEMBL11942318 0.80 L3MBTL1 (0.47) BCHE
SCHEMBL1229812 0.74 ERN1 (0.42) CHRM1RORCCYP3A4HTT
SCHEMBL28977348 0.74 CXCL8 (0.39) NPC1RAB9ANOD2
SCHEMBL30846528 0.73 KMT2A (0.36) CHRM1RORCCYP3A4
SCHEMBL8578245 0.72 AKR1C3 (0.48) RAB9A
SCHEMBL22126531 0.71 MCL1 (0.40) RORCCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL22126570 0.68 CNR2 (0.36) SLC5A2
SCHEMBL22126561 0.68 RORC (0.38) RORCCYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL30682458 0.67 L3MBTL1 (0.51) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 CHRM1 452/4885RORC 2050/4885CYP3A4 908/4885

“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.