SCHEMBL595977

SCHEMBL595977

CCCCCN1CCC(N)CC1

nearest known ligand 0.92

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GNAO1 P09471 10/20 0.92
▸ GNAI3 P08754 9/20 0.92
▸ GNAI1 P63096 9/20 0.92
▸ SPHK1 Q9NYA1 1/20 0.60
▸ KCNH2 Q12809 2/20 0.47
▸ BCHE P06276 1/20 0.44
▸ EBP Q15125 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4249763 0.98 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL5852136 0.98 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL19779489 0.98 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
Dimethylamine SCHEMBL6943083 0.94 GNAO1 (0.82) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL6941884 0.93 GNAO1 (0.81) GNAO1GNAI3GNAI1SPHK1KCNH2
Hydrochloric Acid SCHEMBL9481013 0.91 GNAO1 (0.85) GNAO1GNAI3GNAI1SPHK1KCNH2
Diethylamine SCHEMBL6941583 0.91 GNAO1 (0.77) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL7078379 0.89 GNAO1 (0.74) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL7227721 0.89 GNAO1 (0.74) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL6942008 0.89 GNAO1 (0.74) GNAO1GNAI3GNAI1SPHK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 — — WO disclosed
WO-2019013790-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF CURZA GLOBAL, LLC (US) 2019-01-17 — — WO disclosed
CN-108135175-A Bicyclic compounds and their use for inhibition of SUV39H2 肿瘤疗法科学股份有限公司 2018-06-08 — — CN disclosed
EP-2089384-B1 2-(PIPERIDIN-4-YL)-4-PHENOXY-OR PHENYLAMINO-PYRIMIDINE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-08-05 — — EP disclosed
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
US-7998969-B2 enzyme inhibitors such as 4-[2-(1-Benzyl-piperidin-4-ylamino)-pyrimidin-4-yloxy]-3,5-dimethyl-benzonitrile, used in combination with other viricides, for preventing and treatment of viral infections such as HIV, AIDS and AIDS related diseases ROCHE PALO ALTO LLC (US) 2011-08-16 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
WO-2010053829-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS ARETE THERAPEUTICS, INC. (US) 2010-05-14 — — WO disclosed
US-4208418-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-17 — — US disclosed
US-4198411-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-15 — — US disclosed
US-4197303-A ANTIARRHYTHMIA AGENTS, ALKOXYCARBONYL ON 4-POSITION OF PIPERIDINE JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 — — US disclosed
US-4197304-A ANTIARRHYTHMIA AGENTS, N-PYRIDINYL-N-(4-ALKYLPIPERIDINYL)THIENYLACETAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 — — US disclosed
US-4196210-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-01 — — US disclosed
US-4157393-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-06-05 — — US disclosed
US-4151286-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-04-24 — — US disclosed
US-4148783-A HEAT, LIGHT, OXIDATION, AGING RESISTANCE, STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1979-04-10 — — US disclosed
US-4148783-A HEAT, LIGHT, OXIDATION, AGING RESISTANCE, STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1979-04-10 — — US disclosed
US-4126689-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 — — 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 (1 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR GNAO1 1000/4885GNAI3 847/4885GNAI1 511/4885

“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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