SCHEMBL3449605

SCHEMBL3449605

Cc1ncc2n1C(=O)N(N1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)C3CCCCC3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.45
NR3C1 P04150 3/20 0.40
CCR1 P32246 2/20 0.39
PLAU P00749 1/20 0.39
HPN P05981 1/20 0.39
FPR2 P25090 7/20 0.39
F2 P00734 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR3 P51677 1/20 0.35

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
SCHEMBL3449086 0.99 F10 (0.46) F10NR3C1CCR1PLAUHPN
SCHEMBL3451874 0.96 F10 (0.47) F10NR3C1CCR1FPR2F2
SCHEMBL3448624 0.93 F10 (0.45) F10NR3C1CCR1FPR2F2
SCHEMBL3449102 0.87 F10 (0.52) F10NR3C1CCR1PLAUHPN
SCHEMBL6015061 0.85 F10 (0.42) F10CCR1F2
SCHEMBL3451344 0.85 CCR1 (0.48) F10CCR1FPR2F2
SCHEMBL3450303 0.84 F10 (0.47) F10NR3C1CCR1FPR2F2
SCHEMBL3449908 0.84 F10 (0.47) F10NR3C1CCR1FPR2F2
SCHEMBL3452169 0.84 F10 (0.46) F10NR3C1CCR1FPR2F2
SCHEMBL3449335 0.83 F10 (0.46) F10NR3C1CCR1FPR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F10 22/4885NR3C1 3855/4885CCR1 2570/4885

“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.