SCHEMBL6648136

SCHEMBL6648136

O=C(O)N1CCC2Oc3ccccc3C2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.38
ABCB1 P08183 2/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 1/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RBP4 P02753 1/20 0.35
ACHE P22303 1/20 0.35
HRH2 P25021 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13836477 0.89 F11 (0.46) F11ABCB1LMNATP53TSHR
SCHEMBL10652514 0.86 ALDH1A1 (0.44) F11ABCB1LMNATP53TSHR
SCHEMBL10652510 0.86 ALDH1A1 (0.44) F11ABCB1LMNATP53TSHR
SCHEMBL10650677 0.82 POLB (0.47) TSHRNPSR1ALDH1A1KDM4EMEN1
SCHEMBL10650684 0.82 POLB (0.47) TSHRNPSR1ALDH1A1KDM4EMEN1
SCHEMBL6670085 0.81 OPRM1 (0.37) OPRM1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2225619 0.76 F11 (0.46) F11LMNATSHROPRM1CHRM2
SCHEMBL32687959 0.74 CHRNB4 (0.40) LMNATP53ACHEKDM4ESMN1; SMN2
SCHEMBL25297939 0.73 ELANE (0.30)
SCHEMBL6669412 0.73 MGLL (0.43) LMNAHRH2ALDH1A1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 EP disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US disclosed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 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 (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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A F11 418/4885ABCB1 484/4885LMNA 2851/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A F11 418/4885ABCB1 484/4885LMNA 2851/4885

“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.