SCHEMBL6809839

SCHEMBL6809839

CC(C)Oc1nnc(-c2cc3c(OC[C@@H](O)CN4CCC(c5ccc6c(c5)OCO6)CC4)cccc3o2)o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 7/20 0.41
CCR1 P32246 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.37
SLC6A4 P31645 2/20 0.37
DRD4 P21917 4/20 0.37
DRD2 P14416 2/20 0.37
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
Bromide SCHEMBL5585014 0.99 MEN1 (0.41) MEN1KMT2AHTR1ACCR1POLB
SCHEMBL14571601 0.94 HTR1A (0.41) MEN1KMT2AHTR1ACCR1TSHR
SCHEMBL5584936 0.93 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB
Hydrochloric Acid SCHEMBL6799510 0.92 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB
SCHEMBL14571577 0.91 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB
SCHEMBL8309550 0.91 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB
SCHEMBL14571583 0.91 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB
SCHEMBL14571540 0.91 CCR1 (0.44) MEN1KMT2AHTR1ACCR1POLB
Hydrochloric Acid SCHEMBL5584294 0.90 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB
Hydrochloric Acid SCHEMBL5585058 0.90 HTR1A (0.41) MEN1KMT2AHTR1ACCR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A MEN1 2975/4885KMT2A 765/4885HTR1A 1/4885

“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.