SCHEMBL3034533

SCHEMBL3034533

O=C(CCCN1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(F)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.84
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ DRD2 P14416 2/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ BAZ2B Q9UIF8 1/20 0.52

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
SCHEMBL11604609 0.92 APAF1 (0.98) APAF1HDAC1HDAC6DRD2SIGMAR1
Hydrochloric Acid SCHEMBL11846883 0.88 APAF1 (0.85) APAF1HDAC1HDAC6DRD2SIGMAR1
SCHEMBL7146651 0.86 APAF1 (0.80) APAF1HDAC1HDAC6DRD2SIGMAR1
SCHEMBL12868327 0.86 APAF1 (0.79) APAF1DRD2HTR1AHTR2AHTR7
SCHEMBL2187592 0.82 APAF1 (0.57) APAF1SIGMAR1
SCHEMBL3254208 0.82 SIGMAR1 (0.67) APAF1SIGMAR1
SCHEMBL7245981 0.78 DRD3 (0.68) APAF1DRD2SIGMAR1HTR1AHTR2A
SCHEMBL11601045 0.77 APAF1 (0.52) APAF1SIGMAR1
SCHEMBL30704375 0.76 ACHE (0.60) BAZ2B
SCHEMBL61910 0.75 HDAC1 (0.73) APAF1HDAC1HDAC6

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-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 — — US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 — — US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 — — US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 — — US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 — — US 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 (3 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A APAF1 3060/4885HDAC1 4026/4885HDAC6 3259/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A APAF1 3060/4885HDAC1 4026/4885HDAC6 3259/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A APAF1 3060/4885HDAC1 4026/4885HDAC6 3259/4885

“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.

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