SCHEMBL25512866

SCHEMBL25512866

CN1CCCC2(CC1)OC[C@@H](c1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
TMEM97 Q5BJF2 2/20 0.40
TSHR P16473 2/20 0.40
HTR1A P08908 3/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 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
Iodide SCHEMBL30361728 0.90 TMEM97 (0.37) SIGMAR1TMEM97TSHRHTR1AADRA1A
Iodide SCHEMBL25194148 0.90 TMEM97 (0.37) SIGMAR1TMEM97TSHRHTR1AADRA1A
SCHEMBL25197896 0.79 SIGMAR1 (0.64) SIGMAR1TMEM97HTR1AADRA1AADRA1B
SCHEMBL14636163 0.76 ALDH1A1 (0.45) SIGMAR1TMEM97TSHRHTR1ASMN1; SMN2
SCHEMBL30361752 0.74 TACR1 (0.38) SIGMAR1TMEM97TSHRHTR1AOPRM1
SCHEMBL25190079 0.74 TACR1 (0.38) SIGMAR1TMEM97TSHRHTR1AOPRM1
SCHEMBL14637316 0.73 TSHR (0.42) SIGMAR1TMEM97TSHRHTR1AOPRM1
SCHEMBL16377614 0.70 TSHR (0.50) TSHRKDM1A
SCHEMBL7787343 0.70 TSHR (0.50) TSHRKDM1A
SCHEMBL5371551 0.70 TSHR (0.50) TSHRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159544-A1 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TERRAN BIOSCIENCES INC (US) 2023-05-25 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-20230159544-A1 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TPH2, TPH1, SLC18A2 SIGMAR1 1729/4885TMEM97 3174/4885TSHR 1297/4885

“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.