SCHEMBL13779970

SCHEMBL13779970

CN1CCN(C(=O)CC2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADAM10 O14672 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PPP5C P53041 2/20 0.37
▸ PPP2CA P67775 1/20 0.37

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
SCHEMBL18390073 0.90 NAMPT (0.44) NAMPTHRH3ALOX15TSHRHSD17B10
SCHEMBL16838103 0.87 NAMPT (0.56) NAMPTHSD17B10ADAM10ERBB2MMP2
SCHEMBL8915842 0.86 L3MBTL1 (0.46) NAMPTALOX15TSHRHSD17B10SMYD3
SCHEMBL12049756 0.85 NAMPT (0.50) NAMPTADAM10ERBB2MMP2MMP9
SCHEMBL12522667 0.84 NAMPT (0.45) NAMPTALOX15TSHRHSD17B10L3MBTL1
SCHEMBL17546316 0.83 ALDH1A1 (0.53) NAMPTALOX15TSHRHSD17B10L3MBTL1
SCHEMBL18082852 0.82 NAMPT (0.44) NAMPTALOX15TSHRHSD17B10L3MBTL1
SCHEMBL24308808 0.82 NAMPT (0.42) NAMPTALOX15TSHRHSD17B10ADAM10
SCHEMBL18704939 0.82 HRH3 (0.47) NAMPTHRH3
SCHEMBL19012449 0.82 NAMPT (0.42) NAMPTALOX15TSHRHSD17B10ADAM10

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
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 — — EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 — — WO disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 — — US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 — — US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 — — WO disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 — — 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 NAMPT 3967/4885HRH3 19/4885ALOX15 838/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF NAMPT 3149/4885HRH3 1340/4885ALOX15 4655/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH NAMPT 999/4885HRH3 321/4885ALOX15 4516/4885

“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.

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