SCHEMBL4364637

SCHEMBL4364637

NCCC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
CYP2C19 P33261 1/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
GRIN2B Q13224 10/20 0.60
CYP2D6 P10635 4/20 0.59
CYP2C9 P11712 4/20 0.59
FAAH O00519 1/20 0.57
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TPSAB1 Q15661 1/20 0.56
TPSD1 Q9BZJ3 1/20 0.56
TPSG1 Q9NRR2 1/20 0.56
CYP3A4 P08684 3/20 0.56
CHRM4 P08173 1/20 0.53
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51

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
Hydrochloric Acid SCHEMBL14157232 0.99 SMN1; SMN2 (0.66) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL3652558 0.92 SMN1; SMN2 (0.61) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL7101636 0.91 SMN1; SMN2 (0.63) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL15140566 0.90 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL618588 0.89 SMN1; SMN2 (0.71) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
Hydrochloric Acid SCHEMBL23301123 0.88 SMN1; SMN2 (0.69) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL458148 0.88 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL21553751 0.88 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL8553423 0.87 SMN1; SMN2 (0.68) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL6823133 0.86 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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
CN-118147098-B Leucine dehydrogenase mutant and application thereof in chiral nitrogen heterocyclic amine synthesis 江南大学 2025-04-25 CN disclosed
CN-118147098-A Leucine amine dehydrogenase mutant and application thereof in chiral nitrogen heterocyclic amine synthesis 江南大学 2024-06-07 CN disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
EP-0625509-B1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LTD (GB) 1997-07-30 EP disclosed
US-5521199-A TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0625509-A1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LIMITED (GB) 1994-11-23 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK SMN1; SMN2 4274/4885CYP2C19 2221/4885NPC1 2849/4885

“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.