SCHEMBL9904432

SCHEMBL9904432

c1ccc2c3c(oc2c1)CNCCC3

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.49
KCNH2 Q12809 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HTR5A P47898 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NR2E1 Q9Y466 1/20 0.36

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
SCHEMBL171817 0.90 HTR6 (0.58) HTR6KCNH2TAAR1KDM4EHTR5A
SCHEMBL30681216 0.90 HTR6 (0.58) HTR6KCNH2TAAR1KDM4EHTR5A
SCHEMBL25316518 0.88 HTR6 (0.59) HTR6TAAR1
Hydrochloric Acid SCHEMBL7140687 0.88 HTR6 (0.59) HTR6KCNH2TAAR1KDM4EHTR5A
SCHEMBL30439496 0.88 HTR6 (0.59) HTR6TAAR1
Benzenethiol SCHEMBL2226315 0.81 HTR6 (0.54) HTR6KCNH2TAAR1KDM4EHTR5A
SCHEMBL748874 0.81 HTR6 (0.57) HTR6TAAR1
SCHEMBL313890 0.80 CYP3A4 (0.56) TAAR1CYP1A2CYP3A4CYP2C19SIGMAR1
SCHEMBL7481693 0.80 CYP3A4 (0.52) HTR6TAAR1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4475993 0.79 HTR6 (0.56) HTR6TAAR1

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
US-20250051346-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2025-02-13 US disclosed
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
WO-2023114858-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 US disclosed
WO-2019177975-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-19 WO disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 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 (3 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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS HTR6 3839/4885KCNH2 2941/4885TAAR1 4840/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS HTR6 3839/4885KCNH2 2941/4885TAAR1 4840/4885
US-20250051346-A1 BENZOFURAN AND BENZOTHIOPHENE PSYCHOPLASTOGENS AND USES THEREOF GAP43, BDNF, DBH HTR6 126/4885KCNH2 3691/4885TAAR1 696/4885

“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.