SCHEMBL944936

SCHEMBL944936

CCCCc1ccc(C2CCNCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.58
SPHK2 Q9NRA0 7/20 0.50
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR2C P28335 1/20 0.46

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
SCHEMBL17825356 0.94 SPHK1 (0.52) SPHK1SPHK2SLC18A3SIGMAR1
SCHEMBL17825531 0.90 HTR3A (0.53) SPHK1SPHK2
SCHEMBL7917964 0.89 SLC18A3 (0.52) SPHK1SPHK2SLC18A3SIGMAR1HTR2C
SCHEMBL17825372 0.83 SLC18A3 (0.46) SPHK1SLC18A3SIGMAR1HTR2C
SCHEMBL11165604 0.82 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL17825539 0.82 SPHK1 (0.53) SPHK1SPHK2
Enefexine SCHEMBL499360 0.82 SLC18A3 (0.55) SPHK1SLC18A3SIGMAR1HTR2C
SCHEMBL11828822 0.81 HTR2C (0.55) SPHK1SLC18A3SIGMAR1HTR2C
Enefexine SCHEMBL4886231 0.80 SLC18A3 (0.53) SLC18A3SIGMAR1HTR2C
SCHEMBL23624620 0.79 SPHK1 (0.62) SPHK1SPHK2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 US claimed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-10034886-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2018-07-31 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2018-01-25 US disclosed
US-9795613-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-10-24 US disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
CN-101896459-B Anthelmintic and its use INTERVET INT BV 2013-07-24 CN disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
CN-101896459-A Anthelmintic and its use INTERVET INT BV 2010-11-24 CN disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO disclosed
US-4188396-A ANTIDEPRESSANTS CIBA-GEIGY CORPORATION (US) 1980-02-12 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO SPHK1 2057/4885SPHK2 2628/4885SLC18A3 2405/4885
US-20180021346-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R SPHK1 1877/4885SPHK2 2908/4885SLC18A3 2724/4885
US-10034886-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR SPHK1 2146/4885SPHK2 3296/4885SLC18A3 2931/4885

“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.