SCHEMBL5584936

SCHEMBL5584936

CCOc1nnc(-c2cc3c(OC[C@@H](O)CN4CCC(c5ccc6c(c5)OCO6)CC4)cccc3o2)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.41
CCR1 P32246 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A4 P31645 2/20 0.37
DRD4 P21917 4/20 0.37
DRD2 P14416 2/20 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
SCHEMBL14571601 0.94 HTR1A (0.41) HTR1ACCR1MEN1KMT2ATSHR
SCHEMBL6809839 0.93 MEN1 (0.42) HTR1ACCR1MEN1KMT2APOLB
Bromide SCHEMBL5585014 0.92 MEN1 (0.41) HTR1ACCR1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL6799510 0.92 HTR1A (0.41) HTR1ACCR1MEN1KMT2APOLB
SCHEMBL14571548 0.91 HTR1A (0.41) HTR1ACCR1MEN1KMT2APOLB
SCHEMBL14571540 0.91 CCR1 (0.44) HTR1ACCR1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5584471 0.89 HTR1A (0.41) HTR1ACCR1MEN1KMT2APOLB
SCHEMBL14571577 0.89 HTR1A (0.41) HTR1ACCR1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5584835 0.89 CCR1 (0.43) HTR1ACCR1MEN1KMT2APOLB
SCHEMBL8309550 0.89 HTR1A (0.41) HTR1ACCR1MEN1KMT2APOLB

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 8 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-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885CCR1 2772/4885MEN1 2975/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1A 1/4885CCR1 2772/4885MEN1 2975/4885

“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.