SCHEMBL5584786

SCHEMBL5584786

COc1ccc2cc(C3=CC[N]CC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
CYP11B2 P19099 10/20 0.45
CYP11B1 P15538 9/20 0.45
CYP1A2 P05177 4/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
GSTP1 P09211 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CYP17A1 P05093 3/20 0.43
CYP19A1 P11511 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2B6 P20813 1/20 0.40
FDFT1 P37268 1/20 0.40

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
SCHEMBL5584331 0.87 NISCH (0.42) NISCHNPC1RAB9A
SCHEMBL3540753 0.83 NISCH (0.47) NISCHCYP1A2CYP3A4CYP2C9NPC1
SCHEMBL5584837 0.81 NISCH (0.42) NISCHHSD17B1HSD17B2CYP11B2CYP11B1
SCHEMBL5584232 0.79 CYP1B1 (0.40) CYP1A2CYP3A4CYP2C9NPC1RAB9A
SCHEMBL5585401 0.78 PDE4B (0.46) NPC1
SCHEMBL1630255 0.76 NPC1 (0.57) NISCHHSD17B1HSD17B2CYP11B2CYP11B1
SCHEMBL3541253 0.76 ABL1 (0.36) CYP11B2CYP11B1CYP1A2CYP3A4NPC1
SCHEMBL3537029 0.76 KDM4E (0.37) CYP11B2CYP11B1CYP1A2CYP3A4CYP19A1
SCHEMBL11139123 0.75 HSD17B1 (0.46) NISCHHSD17B1HSD17B2CYP11B2CYP11B1
SCHEMBL19737305 0.73 GSTP1 (0.53) NISCHHSD17B1HSD17B2CYP11B2CYP11B1

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 NISCH 3392/4885HSD17B1 660/4885HSD17B2 1152/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NISCH 3392/4885HSD17B1 660/4885HSD17B2 1152/4885

“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.