SCHEMBL17828159

SCHEMBL17828159

CCc1ccnc(CN(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP1A2 P05177 1/20 0.37
TYMS P04818 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NISCH Q9Y2I1 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TRPA1 O75762 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL23365986 0.84 TYMS (0.45) NOS3NOS1NOS2POLBTSHR
SCHEMBL19160064 0.84 TSHR (0.47) NOS3NOS1NOS2POLBTSHR
SCHEMBL3999628 0.82 RECQL (0.50) POLBTSHRKDM4ETDP1CHRNB2
SCHEMBL20889902 0.82 NOS3 (0.50) NOS3NOS1NOS2POLBTSHR
SCHEMBL3351178 0.82 LOXL2 (0.50) NOS3NOS1NOS2CHRNB2CHRNA4
SCHEMBL13343286 0.82 TDP1 (0.50) NOS3NOS1NOS2POLBTSHR
SCHEMBL7748837 0.81 NOS3 (0.48) NOS3NOS1NOS2POLBTSHR
Hydrochloric Acid SCHEMBL4487746 0.81 RECQL (0.48) TSHRKDM4ECHRNB2CHRNA4TYMS
SCHEMBL218290 0.81 NOS3 (0.61) NOS3NOS1NOS2POLBTSHR
SCHEMBL13343283 0.79 KDM4E (0.46) NOS3NOS1NOS2POLBTSHR

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
WO-2025053198-A1 HALF-DRY SMELL COMPOSITION AND MASKING FRAGRANCE COMPOSITION 高砂香料工業株式会社 2025-03-13 WO disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 NOS3 502/4885NOS1 413/4885NOS2 731/4885

“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.