SCHEMBL7531503

SCHEMBL7531503

C=CCn1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.42
ACHE P22303 2/20 0.41
HTR6 P50406 3/20 0.41
BCHE P06276 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PARP14 Q460N5 1/20 0.40
BACE1 P56817 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL6195963 0.88 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3LOXL2
SCHEMBL4867452 0.82 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL4863963 0.82 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL6422224 0.81 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL5751919 0.81 HTR6 (0.47) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL3852174 0.80 HTR6 (0.63) LOXL2HTR6BCHEALDH1A1GPR119
SCHEMBL6195500 0.80 HTR6 (0.49) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL5704804 0.78 CKS1B (0.47) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL4319103 0.77 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3ACHE
SCHEMBL5704933 0.76 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3ACHE

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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-09-12 US disclosed
US-6391882-B1 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2002-05-21 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-20020128272-A1 4,5,6, and 7-indole and indoline derivatives, their preparation and use HTR2C, HTR1A, HTR7 CHRM2 68/4885CHRM4 94/4885CHRM1 48/4885

“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.