SCHEMBL9109432

SCHEMBL9109432

O=C(Nc1ccccc1)NN1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
TP53 P04637 3/20 0.60
LIPE Q05469 7/20 0.59
KDM4E B2RXH2 3/20 0.53
ALOX15 P16050 1/20 0.53
PRMT5 O14744 2/20 0.53
WDR77 Q9BQA1 2/20 0.53
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7479368 0.82 LIPE (0.68) SMN1; SMN2NPC1RAB9ATP53LIPE
SCHEMBL14890641 0.78 LIPE (0.62) SMN1; SMN2NPC1RAB9ATP53LIPE
SCHEMBL7456919 0.78 LIPE (0.61) SMN1; SMN2NPC1RAB9ATP53LIPE
SCHEMBL7488907 0.78 LIPE (0.61) SMN1; SMN2NPC1RAB9ATP53LIPE
SCHEMBL11881512 0.78 LIPE (0.61) SMN1; SMN2NPC1RAB9ATP53LIPE
SCHEMBL8961559 0.77 TP53 (0.57) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL12010892 0.75 SMN1; SMN2 (0.78) SMN1; SMN2TP53KDM4EALOX15ALDH1A1
SCHEMBL30515325 0.75 RAB9A (1.00) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL10226339 0.75 RAB9A (1.00) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL7549708 0.75 LIPE (1.00) SMN1; SMN2NPC1RAB9ATP53LIPE

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-2964213-B1 USE OF AGONISTS OF FORMYL PEPTIDE RECEPTOR 2 FOR TREATING OCULAR INFLAMMATORY DISEASES ALLERGAN INC (US) 2020-11-04 EP disclosed
EP-2646030-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4- DIHYDROISOQUINOLIN-2(1 H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY Allergan, Inc. (US) 2013-10-09 EP disclosed
EP-2646030-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4- DIHYDROISOQUINOLIN-2(1 H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8507560-B2 Pharmaceutical compositions comprising 3,4-dihydroisoquinolin-2(1H)-yl-3-phenylurea derivatives having formyl peptide receptor like-1 (FPRL-1) agonist or antagonist activity ALLERGAN, INC. (US) 2013-08-13 US disclosed
US-8507560-B2 Pharmaceutical compositions comprising 3,4-dihydroisoquinolin-2(1H)-yl-3-phenylurea derivatives having formyl peptide receptor like-1 (FPRL-1) agonist or antagonist activity ALLERGAN, INC. (US) 2013-08-13 US disclosed
US-8507560-B2 Pharmaceutical compositions comprising 3,4-dihydroisoquinolin-2(1H)-yl-3-phenylurea derivatives having formyl peptide receptor like-1 (FPRL-1) agonist or antagonist activity ALLERGAN, INC. (US) 2013-08-13 US disclosed
WO-2012074785-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4- DIHYDROISOQUINOLIN-2(1 H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2012-06-07 WO disclosed
WO-2012074785-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4- DIHYDROISOQUINOLIN-2(1 H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142726-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4-DIHYDROISOQUINOLIN-2(1H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-20120142726-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4-DIHYDROISOQUINOLIN-2(1H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY ALLERGAN, INC. (US) 2012-06-07 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 (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-20120142726-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 3,4-DIHYDROISOQUINOLIN-2(1H)-YL-3-PHENYLUREA DERIVATIVES HAVING FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) AGONIST OR ANTAGONIST ACTIVITY FPR1, FPR3, FPR2 SMN1; SMN2 2568/4885NPC1 892/4885RAB9A 4191/4885

“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.