SCHEMBL30201037

SCHEMBL30201037

N=C(CNc1ccccc1)NCCOc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 2/20 0.45
WDR5 P61964 1/20 0.45
F10 P00742 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
MAOB P27338 1/20 0.42
KLKB1 P03952 1/20 0.42
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL30201133 0.85 MAPK1 (0.48) NPC1RAB9AKDM4EF10ALOX12
SCHEMBL30201055 0.77 ALDH1A1 (0.47) KMT2ARAB9AKLKB1LMNA
SCHEMBL11677962 0.74 DRD2 (0.63) DRD2DRD4KMT2ANPC1RAB9A
Formic Acid SCHEMBL30201032 0.73 ALDH1A1 (0.46) KMT2ARAB9AKLKB1LMNA
SCHEMBL17163970 0.72 DRD2 (0.64) DRD2DRD4KMT2AKDM4EPPARG
SCHEMBL19513497 0.72 DRD2 (0.56) DRD2DRD4KMT2AKDM4EWDR5
SCHEMBL9808100 0.71 DRD2 (0.72) DRD2DRD4KMT2ANPC1RAB9A
SCHEMBL10917895 0.70 F2 (0.59) DRD2DRD4KMT2AF2PPARG
Hydrochloric Acid SCHEMBL8060178 0.70 DRD4 (0.97) DRD2DRD4KMT2AGAA
SCHEMBL9808215 0.69 LMNA (0.67) DRD2DRD4KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390301-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-11-28 US disclosed
WO-2023028086-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-03-02 WO 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-20240390301-A1 COMBINATIONS OF PERIPHERAL 5-HT2A RECEPTOR ANTAGONISTS AND CENTRAL 5-HT2A RECEPTOR AGONISTS HTR2A, HTR2C, HTR5A DRD2 82/4885DRD4 225/4885KMT2A 937/4885

“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.