SCHEMBL13556830

SCHEMBL13556830

NC1CCN(CCc2ccc(CO)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.63
HRH3 Q9Y5N1 2/20 0.51
ACHE P22303 1/20 0.47
CCR3 P51677 1/20 0.46
HTR2A P28223 4/20 0.46
HTR2C P28335 3/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 1/20 0.46
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL15605026 0.83 SPHK1 (0.68) SPHK1HRH3ACHEL3MBTL1
SCHEMBL7491395 0.83 SPHK1 (0.63) SPHK1HRH3ACHECCR3MBTD1
SCHEMBL17828190 0.83 HRH3 (0.75) SPHK1HRH3ACHECCR3HTR2A
SCHEMBL8821377 0.83 SPHK1 (0.63) SPHK1HRH3ACHECCR3HTR2C
SCHEMBL3599810 0.83 SPHK1 (0.63) SPHK1HRH3HTR2AHTR2CHTR7
SCHEMBL1803484 0.82 ACHE (0.69) SPHK1ACHECCR3HTR2AHTR2C
SCHEMBL15033010 0.82 LTA4H (0.49) SPHK1HRH3ACHECCR3CYP2D6
Methane SCHEMBL3600692 0.81 SPHK1 (0.61) SPHK1HRH3HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL11534786 0.81 ACHE (0.67) SPHK1ACHECCR3HTR2AHTR2C
Hydrochloric Acid SCHEMBL8788285 0.81 ACHE (0.67) SPHK1ACHECCR3HTR2AHTR2C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023587-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2018-07-17 US disclosed
US-20170369503-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2017-12-28 US disclosed
US-9079917-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2015-07-14 US disclosed
US-20150045373-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. 2015-02-12 US disclosed
US-8822461-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2014-09-02 US disclosed
US-20130302402-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2013-11-14 US disclosed
US-8426444-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use LIXTE BIOTECHNOLOGY, INC. (US) 2013-04-23 US disclosed
US-20120270736-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE LIXTE BIOTECHNOLOGY, INC. (US) 2012-10-25 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 (5 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-20120270736-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC SPHK1 2475/4885HRH3 3407/4885ACHE 2067/4885
US-20150045373-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC SPHK1 2475/4885HRH3 3407/4885ACHE 2067/4885
US-20130302402-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC SPHK1 2475/4885HRH3 3407/4885ACHE 2067/4885
US-20170369503-A1 OXABICYCLOHEPTANES AND OXABICYCLOHEPTENES, THEIR PREPARATION AND USE HCCS, OXA1L, OTC SPHK1 2475/4885HRH3 3407/4885ACHE 2067/4885
US-10023587-B2 Oxabicycloheptanes and oxabicycloheptenes, their preparation and use HCCS, OXA1L, OTC SPHK1 2475/4885HRH3 3407/4885ACHE 2067/4885

“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.