SCHEMBL5584876

SCHEMBL5584876

C1=C(c2cc3ccccc3[nH]2)CC[N]C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ITK Q08881 5/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
CHEK1 O14757 1/20 0.41
KDR P35968 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL31181951 0.76 RAB9A (0.50) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL2085643 0.76 RAB9A (0.50) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL1174412 0.74 RAB9A (0.49) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL5138986 0.73 SIGMAR1 (0.51) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL17384805 0.72 RAB9A (0.46) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL374022 0.71 RAB9A (0.74) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL29631691 0.71 RAB9A (0.74) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL14498916 0.71 KDR (0.47) RAB9ANPC1ITKCYP19A1KDM4E
SCHEMBL7202439 0.70 HTR6 (0.51) RAB9ANPC1KDM4EKDRLMNA
SCHEMBL5584837 0.69 NISCH (0.42) RAB9ANPC1CYP19A1KDM4EMAPT

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 RAB9A 2487/4885NPC1 2906/4885ITK 4537/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A RAB9A 2487/4885NPC1 2906/4885ITK 4537/4885

“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.