SCHEMBL24110331

SCHEMBL24110331

CN(C)CC(=O)n1ccc2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.44
HTR2A P28223 3/20 0.41
HTR2C P28335 2/20 0.41
OXER1 Q8TDS5 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
FABP4 P15090 1/20 0.39
HTR7 P34969 1/20 0.38
KCNH2 Q12809 1/20 0.38
NOTUM Q6P988 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
GRM4 Q14833 1/20 0.35

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
SCHEMBL24110479 0.88 HTR2C (0.41) HTR2AHTR2COXER1KDM4EALDH1A1
SCHEMBL24110347 0.84 HTR2A (0.50) HTR2AHTR2COXER1KDM4EALDH1A1
SCHEMBL25937304 0.81 TFPI2 (0.48) TFPI2HTR2AHTR2COXER1KDM4E
Hydrochloric Acid SCHEMBL25429491 0.80 TFPI2 (0.47) TFPI2HTR2AHTR2COXER1KDM4E
SCHEMBL9789003 0.80 TFPI2 (0.47) TFPI2HTR2AHTR2COXER1KDM4E
SCHEMBL24109916 0.80 TUBB1 (0.54) TFPI2HTR2AHTR2CKDM4EALDH1A1
SCHEMBL24110372 0.79 TUBB1 (0.39) OXER1KDM4ESLC6A2SLC6A4
SCHEMBL24109952 0.78 NOTUM (0.64) TFPI2HTR2AHTR2CKDM4EALDH1A1
SCHEMBL5568842 0.77 TFPI2 (0.52) TFPI2HTR2AHTR2COXER1KDM4E
SCHEMBL17674406 0.76 TFPI2 (0.55) TFPI2HTR2AHTR2COXER1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507625-A Isochromic amine nerve plasticizer and application thereof 德力克斯疗法有限公司 2023-07-28 CN disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
EP-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 EP disclosed
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT TFPI2 3990/4885HTR2A 10/4885HTR2C 35/4885

“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.