SCHEMBL9969600

SCHEMBL9969600

CC(=O)[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
SPHK1 Q9NYA1 1/20 0.54
CNR2 P34972 1/20 0.52
CCR4 P51679 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
OPRL1 P41146 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
MCHR1 Q99705 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD11B1 P28845 1/20 0.47

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
SCHEMBL12964221 1.00 NPSR1 (0.55) NPSR1SPHK1CNR2CCR4MEN1
SCHEMBL14598757 1.00 NPSR1 (0.55) NPSR1SPHK1CNR2CCR4MEN1
SCHEMBL14598759 0.95 CNR2 (0.57) NPSR1SPHK1CNR2MEN1KMT2A
SCHEMBL13804314 0.95 CNR2 (0.57) NPSR1SPHK1CNR2MEN1KMT2A
SCHEMBL14828717 0.95 CNR2 (0.57) NPSR1SPHK1CNR2MEN1KMT2A
SCHEMBL2587055 0.87 CYP1A2 (0.60) NPSR1SPHK1CCR4SMN1; SMN2CYP1A2
SCHEMBL1819248 0.87 CYP1A2 (0.60) NPSR1SPHK1CCR4SMN1; SMN2CYP1A2
SCHEMBL1972076 0.87 CYP1A2 (0.60) NPSR1SPHK1CCR4SMN1; SMN2CYP1A2
SCHEMBL27801286 0.87 NPSR1 (0.57) NPSR1SPHK1CNR2CCR4MEN1
Hydrochloric Acid SCHEMBL20790624 0.86 CYP1A2 (0.59) NPSR1SPHK1CCR4SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718638-B2 Compounds, compositions and methods for synthesis WAVE LIFE SCIENCES LTD. (SG) 2023-08-08 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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 (4 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-11718638-B2 Compounds, compositions and methods for synthesis ALKBH1, DUT, RNGTT NPSR1 720/4885SPHK1 1261/4885CNR2 1551/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 NPSR1 854/4885SPHK1 2134/4885CNR2 1483/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP NPSR1 3066/4885SPHK1 3441/4885CNR2 4520/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC NPSR1 1890/4885SPHK1 1779/4885CNR2 2206/4885

“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.