SCHEMBL5584837

SCHEMBL5584837

C1=C(c2ccc3ccccc3c2)CC[N]C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
GSTP1 P09211 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP1A2 P05177 6/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
ALOX5 P09917 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
CYP2C19 P33261 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
SCHEMBL240095 0.79 SIGMAR1 (0.42) NISCHSIGMAR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27654005 0.77 GSTP1 (0.47) NISCHSIGMAR1GSTP1ESR1ESR2
SCHEMBL3116016 0.74 CHRNB4 (0.47) NISCHESR2CYP11B1CYP11B2CYP17A1
SCHEMBL5584141 0.74 AHR (0.45) ALDH1A1KDM4EHPGDNPSR1NPC1
SCHEMBL2253193 0.74 MAPK14 (0.38) SIGMAR1SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1365489 0.72 CHRNB4 (0.46) NISCHSMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL3121636 0.72 HTR2C (0.53) ALOX5SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL3540753 0.72 NISCH (0.47) NISCHCYP1A2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3458441 0.72 ATM (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL3545276 0.72 MAPT (0.41) CYP1A2SMN1; SMN2ALDH1A1KDM4EHPGD

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 3392/4885SIGMAR1 50/4885GSTP1 2149/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NISCH 3392/4885SIGMAR1 50/4885GSTP1 2149/4885

“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.