SCHEMBL5584679

SCHEMBL5584679

Cc1nnc(-c2cc3c(OCCCCl)cccc3o2)o1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 9/20 0.39
BRD4 O60885 1/20 0.39
MKNK1 Q9BUB5 4/20 0.38
CYP2A6 P11509 2/20 0.38
KCNA3 P22001 1/20 0.36
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34
BAD Q92934 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
SCHEMBL5584256 0.86 CYP2A6 (0.39) F2RL3MKNK1CYP2A6KCNA3NMT2
SCHEMBL5584713 0.85 F2RL3 (0.38) F2RL3MKNK1CYP2A6KCNA3NMT2
SCHEMBL5584372 0.85 F2RL3 (0.38) F2RL3MKNK1CYP2A6KCNA3
SCHEMBL5584486 0.83 F2RL3 (0.37) F2RL3MKNK1CYP2A6KCNA3
SCHEMBL5585103 0.82 F2RL3 (0.46) F2RL3MKNK1CYP2A6
SCHEMBL5584474 0.80 ALDH1A1 (0.46) F2RL3BRD4MKNK1
SCHEMBL5584429 0.80 ALDH1A1 (0.46) F2RL3BRD4MKNK1
SCHEMBL14571614 0.76 MAOB (0.49)
SCHEMBL14571625 0.76 SIGMAR1 (0.41)
Hydrochloric Acid SCHEMBL6805071 0.75 MAOB (0.48)

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 6 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
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 F2RL3 3870/4885BRD4 1621/4885MKNK1 2889/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885BRD4 1621/4885MKNK1 2889/4885

“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.