SCHEMBL19873705

SCHEMBL19873705

CSc1ccc(N)c(CCNC2CCN(CC(C)(C)C(=O)O)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.39
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
DRD2 P14416 5/20 0.36
DRD4 P21917 2/20 0.36
HTR2C P28335 4/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CCR2 P41597 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL19873681 0.85 SIGMAR1 (0.39) HTR4HTR2AHRH1SIGMAR1DRD2
SCHEMBL19873971 0.84 SIGMAR1 (0.41) HTR4HTR2ASIGMAR1HTR2CMEN1
SCHEMBL17870765 0.83 DRD4 (0.40) SIGMAR1DRD2DRD4KDM4ELMNA
SCHEMBL28644008 0.81 LMNA (0.35) SIGMAR1DRD2DRD4MEN1KMT2A
SCHEMBL30178438 0.80 GPR119 (0.49) KDM4ELMNA
SCHEMBL17870726 0.68 ALDH1A1 (0.40) SIGMAR1DRD4MEN1KMT2AKDM4E
SCHEMBL17870727 0.68 ALDH1A1 (0.40) SIGMAR1DRD4MEN1KMT2AKDM4E
SCHEMBL19873976 0.67 ACHE (0.39) HTR4HTR2ASIGMAR1HTR2CMEN1
SCHEMBL17870707 0.67 DRD4 (0.42) SIGMAR1DRD4KDM4E
SCHEMBL30178376 0.66 GPR119 (0.46) KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 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 (2 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 HTR4 358/4885HTR2A 231/4885HRH1 18/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR HTR4 262/4885HTR2A 183/4885HRH1 14/4885

“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.