SCHEMBL8001649

SCHEMBL8001649

CN(C)CCNCc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CHRM2 P08172 1/20 0.63
CHRNA7 P36544 1/20 0.62
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CHRNB2 P17787 2/20 0.56
CHRNA4 P43681 2/20 0.56
HTT P42858 1/20 0.53
SCN8A Q9UQD0 1/20 0.52
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL9570421 0.90 CHRM2 (0.69) CYP1A2CYP2D6CHRM2CHRNA7ALDH1A1
SCHEMBL8009741 0.85 CHRNA7 (0.70) CYP1A2CYP2D6CHRM2CHRNA7ALDH1A1
SCHEMBL29875178 0.84 CYP1A2 (0.83) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL19031318 0.84 CYP1A2 (0.83) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL8000930 0.83 CYP1A2 (0.59) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL7981757 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL22878304 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL3738479 0.81 CYP1A2 (0.71) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL11594897 0.80 CHRM2 (0.93) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL2861457 0.80 CYP1A2 (1.00) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2023-11-02 US claimed
EP-4180039-A1 <SMALLCAPS/>? ? ?LEISHMANIA? ? ? ? ?USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS Universidad de Granada (ES) 2023-05-17 EP claimed
US-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2023-11-02 US disclosed
US-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2023-11-02 US disclosed
US-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2023-11-02 US disclosed
EP-4180039-A1 <SMALLCAPS/>? ? ?LEISHMANIA? ? ? ? ?USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS Universidad de Granada (ES) 2023-05-17 EP disclosed
EP-4180039-A1 <SMALLCAPS/>? ? ?LEISHMANIA? ? ? ? ?USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS Universidad de Granada (ES) 2023-05-17 EP disclosed
WO-2022008784-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA UNIVERSIDAD DE GRANADA (ES) 2022-01-13 WO disclosed
EP-3319955-B1 6-AMINO-QUINOLINE-3-CARBONITRILS AS COT MODULATORS GILEAD SCIENCES INC (US) 2020-11-25 EP disclosed
US-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO disclosed
US-6057318-A ANTAGONISTS OF PLATELET ACTIVATING FACTOR ACETHER SANOFI (FR) 2000-05-02 US disclosed
US-5891893-A 5-AMINO-1,2,4-OXA(OR THIA)DIAZOLES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, ALLERGIES, INFLAMMATION, CARDIOVASCULAR DISEASES, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5891894-A 2-AMINO OXAZOLE DERIVATIVES; ANTAGONISTS OF PLATELET ACTIVATING FACTOR USEFUL IN TREATMENT OF ASTHMA, INFLAMMATION, CARDIOVASCULAR DISORDERS, RENAL DISEASES, OR AS CONTRACEPTIVES SANOFI (FR) 1999-04-06 US disclosed
US-5780468-A ANTAGONIST OF PLATELET ACTIVATING FACTOR SANOFI (FR) 1998-07-14 US disclosed
EP-0755262-A4 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO INC (US) 1997-05-07 EP disclosed
EP-0755262-A1 COMPOSITION FOR THE TREATMENT OF LUNG DISEASE MERCK & CO. INC. (US) 1997-01-29 EP disclosed
US-5470855-A Anticoagulants SANOFI (FR) 1995-11-28 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-20230346769-A1 USE OF SIMPLE ACYCLIC POLYAMINES FOR THE TREATMENT OF DISEASES CAUSED BY PARASITES OF THE GENUS LEISHMANIA SRM, SMS, ARG2 CYP1A2 1017/4885CYP2D6 2218/4885CHRM2 1038/4885

“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.